(3S)-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (3S)-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-[(4-nitrophenyl)methoxy]-4-oxo-butanoic acid CAS Name: (3S)-4-[(4-nitrophenyl)methoxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (3S)-4-[(4-nitrophenyl)methoxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-4-(4-nitrobenzyl)oxy-butyric acid Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O8/c22-17(23)10-16(20-19(25)29-12-13-4-2-1-3-5-13)18(24)28-11-14-6-8-15(9-7-14)21(26)27/h1-9,16H,10-12H2,(H,20,25)(H,22,23)/t16-/m0/s1