[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-11-3-6-13(7-4-11)18-16(20)10-25-17(21)12-5-8-15(24-2)14(9-12)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)