4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

CAS: 76129-13-0

Molecular Formula	`C27H26N2O8`
Molecular Weight	506.5 g/mol
LogP	2.5
Topological Polar Surface Area	129.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	506.1689
Heavy Atoms	37
Complexity	975.0

Chemical Identifiers

CAS Number	76129-13-0
SMILES	`COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]`
InChIKey	`CRXFDHISRJTSDH-FQEVSTJZSA-N`

📖 Product Overview

4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide (CAS: 76129-13-0) is a chemical compound with molecular formula C27H26N2O8 and molecular weight 506.5 g/mol. Its IUPAC systematic name is 4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide. LogP 2.5 Topological Polar Surface Area 129.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 506.1689 Heavy Atoms 37 Complexity 975.0 InChI Key: CRXFDHISRJTSDH-FQEVSTJZSA-N. SMILES: COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide.

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