5-ethanoyl-2-[2-(1,2,3,4-tetrazol-1-yl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-ethanoyl-2-[2-(1,2,3,4-tetrazol-1-yl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-acetyl-2-[2-(tetrazol-1-yl)phenyl]-4H-pyrazol-3-one CAS Name: 5-acetyl-2-[2-(1-tetrazolyl)phenyl]-4H-pyrazol-3-one IUPAC Name: 5-acetyl-2-[2-(tetrazol-1-yl)phenyl]-4H-pyrazol-3-one Traditional Name: 5-acetyl-2-[2-(tetrazol-1-yl)phenyl]-2-pyrazolin-3-one Formula: C12H10N6O2 MolecularWeight: 270.2468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2N3C=NN=N3

Isomeric SMILES

CC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2N3C=NN=N3

InChI

InChI=1S/C12H10N6O2/c1-8(19)9-6-12(20)18(14-9)11-5-3-2-4-10(11)17-7-13-15-16-17/h2-5,7H,6H2,1H3