(phenylmethyl) (2S)-2-[(4-nitro-2-phenylmethoxy-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-nitro-2-phenylmethoxy-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S)-2-[(2-benzyloxy-4-nitro-benzoyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[(4-nitro-2-phenylmethoxyphenyl)-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-hydroxy-2-[(4-nitro-2-phenylmethoxybenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2-benzoxy-4-nitro-benzoyl)amino]-3-hydroxy-propionic acid benzyl ester Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC(CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N[C@@H](CO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O7/c27-14-21(24(29)33-16-18-9-5-2-6-10-18)25-23(28)20-12-11-19(26(30)31)13-22(20)32-15-17-7-3-1-4-8-17/h1-13,21,27H,14-16H2,(H,25,28)/t21-/m0/s1