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

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-4-cyano-2-methyl-butanoic acid Openeye Name: 2-[(4-bromobenzoyl)amino]-4-cyano-2-methyl-butanoic acid CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-4-cyano-2-methylbutanoic acid IUPAC Name: 2-[(4-bromobenzoyl)amino]-4-cyano-2-methylbutanoic acid Traditional Name: 2-[(4-bromobenzoyl)amino]-4-cyano-2-methyl-butyric acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3/c1-13(12(18)19,7-2-8-15)16-11(17)9-3-5-10(14)6-4-9/h3-6H,2,7H2,1H3,(H,16,17)(H,18,19)