(4E)-4-(1,2-dihydro-1,2,3,4-tetrazol-5-ylidene)-2-ethanoyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(1,2-dihydro-1,2,3,4-tetrazol-5-ylidene)-2-ethanoyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-acetyl-4-(1,2-dihydrotetrazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-acetyl-4-(1,2-dihydrotetrazol-5-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-acetyl-4-(1,2-dihydrotetrazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-acetyl-4-(1,2-dihydrotetrazol-5-ylidene)cyclohexa-2,5-dien-1-one Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C2NNN=N2)C=CC1=O

Isomeric SMILES

CC(=O)C1=C/C(=C/2\NNN=N2)/C=CC1=O

InChI

InChI=1S/C9H8N4O2/c1-5(14)7-4-6(2-3-8(7)15)9-10-12-13-11-9/h2-4H,1H3,(H,10,13)(H,11,12)