4-(cyanomethylamino)benzoic acid

Systemtic Name: 4-(cyanomethylamino)benzoic acid Openeye Name: 4-(cyanomethylamino)benzoic acid CAS Name: 4-(cyanomethylamino)benzoic acid IUPAC Name: 4-(cyanomethylamino)benzoic acid Traditional Name: 4-(cyanomethylamino)benzoic acid Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O2/c10-5-6-11-8-3-1-7(2-4-8)9(12)13/h1-4,11H,6H2,(H,12,13)