[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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