[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O9 MolecularWeight: 448.42326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O9/c1-6-31-19-10-14(15(23(26)27)11-18(19)30-5)21(25)32-12(2)20(24)22-13-7-8-16(28-3)17(9-13)29-4/h7-12H,6H2,1-5H3,(H,22,24)