(2S)-4-[(4-fluoranyl-3-nitro-phenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: (2S)-4-[(4-fluoranyl-3-nitro-phenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: (2S)-4-(4-fluoro-3-nitro-anilino)-4-oxo-2-phenyl-butanoic acid CAS Name: (2S)-4-(4-fluoro-3-nitroanilino)-4-oxo-2-phenylbutanoic acid IUPAC Name: (2S)-4-(4-fluoro-3-nitroanilino)-4-oxo-2-phenylbutanoic acid Traditional Name: (2S)-4-(4-fluoro-3-nitro-anilino)-4-keto-2-phenyl-butyric acid Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H13FN2O5/c17-13-7-6-11(8-14(13)19(23)24)18-15(20)9-12(16(21)22)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,20)(H,21,22)/t12-/m0/s1