4-(2-cyanoethanoyl)benzoic acid

Systemtic Name: 4-(2-cyanoethanoyl)benzoic acid Openeye Name: 4-(2-cyanoacetyl)benzoic acid CAS Name: 4-(2-cyano-1-oxoethyl)benzoic acid IUPAC Name: 4-(2-cyanoacetyl)benzoic acid Traditional Name: 4-(2-cyanoacetyl)benzoic acid Formula: C10H7NO3 MolecularWeight: 189.16748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC#N)C(=O)O

InChI

InChI=1S/C10H7NO3/c11-6-5-9(12)7-1-3-8(4-2-7)10(13)14/h1-4H,5H2,(H,13,14)