3-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(tetrazol-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-(1-tetrazolyl)anilino]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(tetrazol-1-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(tetrazol-1-yl)phenyl]carbamoyl]pyrazinoic acid Formula: C13H9N7O3 MolecularWeight: 311.25566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=NC=CN=C2C(=O)O)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=NC=CN=C2C(=O)O)N3C=NN=N3

InChI

InChI=1S/C13H9N7O3/c21-12(10-11(13(22)23)15-6-5-14-10)17-8-1-3-9(4-2-8)20-7-16-18-19-20/h1-7H,(H,17,21)(H,22,23)