[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C16H14N2O5 MolecularWeight: 314.29276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c1-11-3-2-4-13(9-11)17-15(19)10-23-16(20)12-5-7-14(8-6-12)18(21)22/h2-9H,10H2,1H3,(H,17,19)