[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H22N2O7/c1-4-27-16-10-9-14(11-17(16)28-5-2)21-18(23)12-29-20(24)15-8-6-7-13(3)19(15)22(25)26/h6-11H,4-5,12H2,1-3H3,(H,21,23)