2-[(3,4-diethoxyphenyl)carbonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3,4-diethoxyphenyl)carbonylamino]-5-nitro-benzoic acid Openeye Name: 2-[(3,4-diethoxybenzoyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(3,4-diethoxybenzoyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]-5-nitro-benzoic acid Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)OCC

InChI

InChI=1S/C18H18N2O7/c1-3-26-15-8-5-11(9-16(15)27-4-2)17(21)19-14-7-6-12(20(24)25)10-13(14)18(22)23/h5-10H,3-4H2,1-2H3,(H,19,21)(H,22,23)