5-[bis(cyanomethyl)carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[bis(cyanomethyl)carbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[bis(cyanomethyl)carbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[bis(cyanomethyl)amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[bis(cyanomethyl)carbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[bis(cyanomethyl)carbamoyl]picolinic acid Formula: C11H8N4O3 MolecularWeight: 244.20622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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