[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-(2-benzamidoethanoylamino)ethanoate

Systemtic Name: [(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-(2-benzamidoethanoylamino)ethanoate Openeye Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 2-[(2-benzamidoacetyl)amino]acetate CAS Name: 2-[(2-benzamido-1-oxoethyl)amino]acetic acid [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(2-benzamidoacetyl)amino]acetate Traditional Name: 2-(hippuroylamino)acetic acid [(1S)-2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C25H21N3O7 MolecularWeight: 475.45014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CNC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CNC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O7/c29-21(15-27-25(32)19-9-5-2-6-10-19)26-16-22(30)35-24(23(31)17-7-3-1-4-8-17)18-11-13-20(14-12-18)28(33)34/h1-14,24H,15-16H2,(H,26,29)(H,27,32)/t24-/m0/s1