(4-methylphenyl) 4-[(2-fluoranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-methylphenyl) 4-[(2-fluoranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: p-tolyl 4-(2-fluoro-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-fluoro-5-nitroanilino)-4-oxobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-(2-fluoro-5-nitro-anilino)-4-keto-butyric acid p-tolyl ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

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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-])F

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O5/c1-11-2-5-13(6-3-11)25-17(22)9-8-16(21)19-15-10-12(20(23)24)4-7-14(15)18/h2-7,10H,8-9H2,1H3,(H,19,21)