6-[bis(cyanomethyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[bis(cyanomethyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[bis(cyanomethyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[[bis(cyanomethyl)amino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[bis(cyanomethyl)carbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[bis(cyanomethyl)carbamoyl]-2-methyl-nicotinic acid Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C12H10N4O3/c1-8-9(12(18)19)2-3-10(15-8)11(17)16(6-4-13)7-5-14/h2-3H,6-7H2,1H3,(H,18,19)