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

Systemtic Name: (4-methylphenyl) 4-[(2-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: p-tolyl 4-(2-methyl-3-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methyl-3-nitroanilino)-4-oxobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(2-methyl-3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-3-nitro-anilino)butyric acid p-tolyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

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