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

Systemtic Name: (phenylmethyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid benzyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5/c1-11(17(22)25-10-12-5-3-2-4-6-12)19-16(21)13-7-8-14(18)15(9-13)20(23)24/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1