2-[(3-chlorophenyl)carbonylamino]-4-cyano-2-methyl-butanoic acid

Systemtic Name: 2-[(3-chlorophenyl)carbonylamino]-4-cyano-2-methyl-butanoic acid Openeye Name: 2-[(3-chlorobenzoyl)amino]-4-cyano-2-methyl-butanoic acid CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4-cyano-2-methylbutanoic acid IUPAC Name: 2-[(3-chlorobenzoyl)amino]-4-cyano-2-methylbutanoic acid Traditional Name: 2-[(3-chlorobenzoyl)amino]-4-cyano-2-methyl-butyric acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C(=O)O)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CC(CCC#N)(C(=O)O)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H13ClN2O3/c1-13(12(18)19,6-3-7-15)16-11(17)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6H2,1H3,(H,16,17)(H,18,19)