(phenylmethyl) (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-hydroxy-5-nitro-benzyl)amino]-3-phenyl-propionic acid benzyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H22N2O5/c26-22-12-11-20(25(28)29)14-19(22)15-24-21(13-17-7-3-1-4-8-17)23(27)30-16-18-9-5-2-6-10-18/h1-12,14,21,24,26H,13,15-16H2/t21-/m0/s1