6-[bis(cyanomethyl)carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[bis(cyanomethyl)carbamoyl]pyridine-3-carboxylic acid Openeye Name: 6-[bis(cyanomethyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 6-[[bis(cyanomethyl)amino]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[bis(cyanomethyl)carbamoyl]pyridine-3-carboxylic acid Traditional Name: 6-[bis(cyanomethyl)carbamoyl]nicotinic acid Formula: C11H8N4O3 MolecularWeight: 244.20622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O3/c12-3-5-15(6-4-13)10(16)9-2-1-8(7-14-9)11(17)18/h1-2,7H,5-6H2,(H,17,18)