3-[bis(cyanomethyl)carbamoyl]benzoic acid

Systemtic Name: 3-[bis(cyanomethyl)carbamoyl]benzoic acid Openeye Name: 3-[bis(cyanomethyl)carbamoyl]benzoic acid CAS Name: 3-[[bis(cyanomethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-[bis(cyanomethyl)carbamoyl]benzoic acid Traditional Name: 3-[bis(cyanomethyl)carbamoyl]benzoic acid Formula: C12H9N3O3 MolecularWeight: 243.21816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3/c13-4-6-15(7-5-14)11(16)9-2-1-3-10(8-9)12(17)18/h1-3,8H,6-7H2,(H,17,18)