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

Systemtic Name: 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]ethyl 2-methylprop-2-enoate Openeye Name: 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]ethyl ester IUPAC Name: 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]ethyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCC1=CC(=C2C=CC=C3C2=NNN3)C(=O)C=C1

Isomeric SMILES

CC(=C)C(=O)OCCC1=C/C(=C\2/C=CC=C3C2=NNN3)/C(=O)C=C1

InChI

InChI=1S/C18H17N3O3/c1-11(2)18(23)24-9-8-12-6-7-16(22)14(10-12)13-4-3-5-15-17(13)20-21-19-15/h3-7,10,19,21H,1,8-9H2,2H3/b14-13+