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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11-5-3-4-6-14(11)18-16(20)10-24-17(21)13-8-7-12(2)15(9-13)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)