[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7/c1-4-28-17-9-6-13(10-18(17)29-5-2)22-19(24)12-30-20(25)15-11-14(23(26)27)7-8-16(15)21-3/h6-11,21H,4-5,12H2,1-3H3,(H,22,24)