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

Systemtic Name: phenyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: phenyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid phenyl ester IUPAC Name: phenyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid phenyl ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5/c1-10(16(21)24-12-5-3-2-4-6-12)18-15(20)11-7-8-13(17)14(9-11)19(22)23/h2-10H,1H3,(H,18,20)/t10-/m0/s1