(4-nitrophenyl)methyl (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: (4-nitrophenyl)methyl (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid (4-nitrobenzyl) ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5/c26-22(30-16-17-11-13-20(14-12-17)25(28)29)15-21(18-7-3-1-4-8-18)24-23(27)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,24,27)/t21-/m0/s1