8-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]octyl 2-methylprop-2-enoate

Systemtic Name: 8-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]octyl 2-methylprop-2-enoate Openeye Name: 8-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]octyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 8-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]octyl ester IUPAC Name: 8-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]octyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 8-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]octyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2C=CC=C3C2=NNN3)C1=O)CCCCCCCCOC(=O)C(=C)C

Isomeric SMILES

CC1=CC(=C/C(=C/2\C=CC=C3C2=NNN3)/C1=O)CCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C25H31N3O3/c1-17(2)25(30)31-14-9-7-5-4-6-8-11-19-15-18(3)24(29)21(16-19)20-12-10-13-22-23(20)27-28-26-22/h10,12-13,15-16,26,28H,1,4-9,11,14H2,2-3H3/b21-20-