(4-nitrophenyl)methyl 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]acetate CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]acetic acid (4-nitrobenzyl) ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c24-11-17(22-20(27)31-13-14-4-2-1-3-5-14)19(26)21-10-18(25)30-12-15-6-8-16(9-7-15)23(28)29/h1-9,17,24H,10-13H2,(H,21,26)(H,22,27)