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

Systemtic Name: 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]ethyl prop-2-enoate Openeye Name: 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]ethyl prop-2-enoate CAS Name: 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 prop-2-enoate Traditional Name: acrylic acid 2-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]ethyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c1-2-16(22)23-9-8-11-6-7-15(21)13(10-11)12-4-3-5-14-17(12)19-20-18-14/h2-7,10,18,20H,1,8-9H2/b13-12+