3-[[4-(cyanomethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-(cyanomethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(cyanomethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[4-(cyanomethyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(cyanomethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(cyanomethyl)phenyl]carbamoyl]pyrazinoic acid Formula: C14H10N4O3 MolecularWeight: 282.2542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C14H10N4O3/c15-6-5-9-1-3-10(4-2-9)18-13(19)11-12(14(20)21)17-8-7-16-11/h1-4,7-8H,5H2,(H,18,19)(H,20,21)