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

Systemtic Name: cyanomethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: cyanomethyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid cyanomethyl ester Formula: C12H10ClN3O5 MolecularWeight: 311.6779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC#N)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O5/c1-7(12(18)21-5-4-14)15-11(17)8-2-3-9(13)10(6-8)16(19)20/h2-3,6-7H,5H2,1H3,(H,15,17)/t7-/m0/s1