Compound C21H21N3O7

2-(9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl)acetic acid

CAS: 561-20-6

Molecular Formula	`C21H21N3O7`
Molecular Weight	427.4 g/mol
LogP	-3.1
Topological Polar Surface Area	142.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	2
Exact Mass	427.13794
Heavy Atoms	31
Complexity	1050.0

Chemical Identifiers

CAS Number	561-20-6
SMILES	`C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O`
InChIKey	`IVEMPCACOMNRGI-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H21N3O7 (CAS: 561-20-6) is a chemical compound with molecular formula C21H21N3O7 and molecular weight 427.4 g/mol. Its IUPAC systematic name is 2-(9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl)acetic acid. LogP -3.1 Topological Polar Surface Area 142.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 2 Exact Mass 427.13794 Heavy Atoms 31 Complexity 1050.0 InChI Key: IVEMPCACOMNRGI-UHFFFAOYSA-N. SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O.

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