(phenylmethyl) (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-nitrophenoxy)-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenyl-propionic acid benzyl ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6/c26-22(30-16-18-9-5-2-6-10-18)21(15-17-7-3-1-4-8-17)24-23(27)31-20-13-11-19(12-14-20)25(28)29/h1-14,21H,15-16H2,(H,24,27)/t21-/m0/s1