(6Z)-2-butyl-6-(1,2-dihydrobenzotriazol-4-ylidene)-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-2-butyl-6-(1,2-dihydrobenzotriazol-4-ylidene)-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-butyl-6-(1,2-dihydrobenzotriazol-4-ylidene)-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2-butyl-6-(1,2-dihydrobenzotriazol-4-ylidene)-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2-butyl-6-(1,2-dihydrobenzotriazol-4-ylidene)-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2-butyl-6-(1,2-dihydrobenzotriazol-4-ylidene)-4-methyl-cyclohexa-2,4-dien-1-one Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C2C=CC=C3C2=NNN3)C1=O)C

Isomeric SMILES

CCCCC1=CC(=C/C(=C/2\C=CC=C3C2=NNN3)/C1=O)C

InChI

InChI=1S/C17H19N3O/c1-3-4-6-12-9-11(2)10-14(17(12)21)13-7-5-8-15-16(13)19-20-18-15/h5,7-10,18,20H,3-4,6H2,1-2H3/b14-13-