(4-nitrophenyl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (4-nitrophenyl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (4-nitrobenzyl) ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c18-17(22)19-15(10-12-4-2-1-3-5-12)16(21)25-11-13-6-8-14(9-7-13)20(23)24/h1-9,15H,10-11H2,(H3,18,19,22)/t15-/m0/s1