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

Systemtic Name: 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propyl 2-methylprop-2-enoate Openeye Name: 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propyl ester IUPAC Name: 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propyl ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCCC1=CC(=C2C=CC=C3C2=NNN3)C(=O)C=C1

Isomeric SMILES

CC(=C)C(=O)OCCCC1=C/C(=C\2/C=CC=C3C2=NNN3)/C(=O)C=C1

InChI

InChI=1S/C19H19N3O3/c1-12(2)19(24)25-10-4-5-13-8-9-17(23)15(11-13)14-6-3-7-16-18(14)21-22-20-16/h3,6-9,11,20,22H,1,4-5,10H2,2H3/b15-14+