(4-nitrophenyl) N-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]carbamate

Systemtic Name: (4-nitrophenyl) N-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]carbamate Openeye Name: (4-nitrophenyl) N-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]carbamate CAS Name: N-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]carbamate Traditional Name: N-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]carbamic acid (4-nitrophenyl) ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NNC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6/c1-12(23)19-16(11-13-5-3-2-4-6-13)17(24)20-21-18(25)28-15-9-7-14(8-10-15)22(26)27/h2-10,16H,11H2,1H3,(H,19,23)(H,20,24)(H,21,25)/t16-/m0/s1