[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8/c1-4-28-14-8-6-13(7-9-14)21-19(23)12-30-20(24)15-10-17(27-3)18(29-5-2)11-16(15)22(25)26/h6-11H,4-5,12H2,1-3H3,(H,21,23)