3-[2-cyanoethyl(methyl)carbamoyl]benzoic acid

Systemtic Name: 3-[2-cyanoethyl(methyl)carbamoyl]benzoic acid Openeye Name: 3-[2-cyanoethyl(methyl)carbamoyl]benzoic acid CAS Name: 3-[[2-cyanoethyl(methyl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-[2-cyanoethyl(methyl)carbamoyl]benzoic acid Traditional Name: 3-[2-cyanoethyl(methyl)carbamoyl]benzoic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CC(=CC=C1)C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)C1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-14(7-3-6-13)11(15)9-4-2-5-10(8-9)12(16)17/h2,4-5,8H,3,7H2,1H3,(H,16,17)