(2S)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-2-[(1S)-1-phenylethyl]butanoate

Systemtic Name: (2S)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-2-[(1S)-1-phenylethyl]butanoate Openeye Name: (2S)-4-(4-nitroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoate CAS Name: (2S)-4-(4-nitroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoate IUPAC Name: (2S)-4-(4-nitroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoate Traditional Name: (2S)-4-keto-4-(4-nitroanilino)-2-[(1S)-1-phenylethyl]butyrate Formula: C18H17N2O5- MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12(13-5-3-2-4-6-13)16(18(22)23)11-17(21)19-14-7-9-15(10-8-14)20(24)25/h2-10,12,16H,11H2,1H3,(H,19,21)(H,22,23)/p-1/t12-,16+/m1/s1