6-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]hexyl 2-methylprop-2-enoate

Systemtic Name: 6-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]hexyl 2-methylprop-2-enoate Openeye Name: 6-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]hexyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 6-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]hexyl ester IUPAC Name: 6-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]hexyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 6-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]hexyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCCCCCC1=CC(=C2C=CC=C3C2=NNN3)C(=O)C=C1

Isomeric SMILES

CC(=C)C(=O)OCCCCCCC1=C/C(=C\2/C=CC=C3C2=NNN3)/C(=O)C=C1

InChI

InChI=1S/C22H25N3O3/c1-15(2)22(27)28-13-6-4-3-5-8-16-11-12-20(26)18(14-16)17-9-7-10-19-21(17)24-25-23-19/h7,9-12,14,23,25H,1,3-6,8,13H2,2H3/b18-17+