3-(2-cyanoethanoylamino)benzoic acid

Systemtic Name: 3-(2-cyanoethanoylamino)benzoic acid Openeye Name: 3-[(2-cyanoacetyl)amino]benzoic acid CAS Name: 3-[(2-cyano-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-[(2-cyanoacetyl)amino]benzoic acid Traditional Name: 3-[(2-cyanoacetyl)amino]benzoic acid Formula: C10H8N2O3 MolecularWeight: 204.18212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O3/c11-5-4-9(13)12-8-3-1-2-7(6-8)10(14)15/h1-3,6H,4H2,(H,12,13)(H,14,15)