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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)ethanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(o-tolyl)acetate CAS Name: 2-(2-methylphenyl)acetic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate Traditional Name: 2-(o-tolyl)acetic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12-5-3-4-6-14(12)9-18(22)25-11-17(21)19-15-8-7-13(2)16(10-15)20(23)24/h3-8,10H,9,11H2,1-2H3,(H,19,21)