methyl 3-[2-(diethylamino)ethylcarbamoyl]-4-hydroxy-5-nitrobenzoate

CAS: 92697-56-8

Molecular Formula	`C15H21N3O6`
Molecular Weight	339.34 g/mol
LogP	1.8
Topological Polar Surface Area	125.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	339.14304
Heavy Atoms	24
Complexity	449.0

Chemical Identifiers

CAS Number	92697-56-8
SMILES	`CCN(CC)CCNC(=O)C1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])O`
InChIKey	`VGIZFCODQYHHLZ-UHFFFAOYSA-N`

📖 Product Overview

methyl 3-[2-(diethylamino)ethylcarbamoyl]-4-hydroxy-5-nitrobenzoate (CAS: 92697-56-8) is a chemical compound with molecular formula C15H21N3O6 and molecular weight 339.34 g/mol. Its IUPAC systematic name is methyl 3-[2-(diethylamino)ethylcarbamoyl]-4-hydroxy-5-nitrobenzoate. LogP 1.8 Topological Polar Surface Area 125.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 8 Exact Mass 339.14304 Heavy Atoms 24 Complexity 449.0 InChI Key: VGIZFCODQYHHLZ-UHFFFAOYSA-N. SMILES: CCN(CC)CCNC(=O)C1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])O.

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