(3S)-5-[(3-nitrophenyl)amino]-5-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: (3S)-5-[(3-nitrophenyl)amino]-5-oxidanylidene-3-phenyl-pentanoate Openeye Name: (3S)-5-(3-nitroanilino)-5-oxo-3-phenyl-pentanoate CAS Name: (3S)-5-(3-nitroanilino)-5-oxo-3-phenylpentanoate IUPAC Name: (3S)-5-(3-nitroanilino)-5-oxo-3-phenylpentanoate Traditional Name: (3S)-5-keto-5-(3-nitroanilino)-3-phenyl-valerate Formula: C17H15N2O5- MolecularWeight: 327.3114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c20-16(18-14-7-4-8-15(11-14)19(23)24)9-13(10-17(21)22)12-5-2-1-3-6-12/h1-8,11,13H,9-10H2,(H,18,20)(H,21,22)/p-1/t13-/m0/s1