(2S)-2-(4-fluorophenyl)-4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(4-fluorophenyl)-4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(4-fluorophenyl)-4-(4-methoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2S)-2-(4-fluorophenyl)-4-(4-methoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(4-fluorophenyl)-4-(4-methoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2S)-2-(4-fluorophenyl)-4-keto-4-(4-methoxy-2-nitro-anilino)butyrate Formula: C17H14FN2O6- MolecularWeight: 361.301263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC(C2=CC=C(C=C2)F)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[C@@H](C2=CC=C(C=C2)F)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15FN2O6/c1-26-12-6-7-14(15(8-12)20(24)25)19-16(21)9-13(17(22)23)10-2-4-11(18)5-3-10/h2-8,13H,9H2,1H3,(H,19,21)(H,22,23)/p-1/t13-/m0/s1