2-[[(1-cyano-2-methyl-propyl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[[(1-cyano-2-methyl-propyl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid Openeye Name: 2-[[(1-cyano-2-methyl-propyl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid CAS Name: 2-[[(1-cyano-2-methylpropyl)hydrazo]-oxomethyl]-6-(phenoxymethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-[[(1-cyano-2-methylpropyl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid Traditional Name: 2-[[(1-cyano-2-methyl-propyl)amino]carbamoyl]-6-(phenoxymethyl)nicotinic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)NNC(=O)C1=C(C=CC(=N1)COC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(C#N)NNC(=O)C1=C(C=CC(=N1)COC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H20N4O4/c1-12(2)16(10-20)22-23-18(24)17-15(19(25)26)9-8-13(21-17)11-27-14-6-4-3-5-7-14/h3-9,12,16,22H,11H2,1-2H3,(H,23,24)(H,25,26)