2-[(5Z)-3-tert-butyl-5-(1,2-dihydrobenzotriazol-4-ylidene)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]ethyl 2-methylprop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-13(2)21(27)28-10-9-14-11-15(22(3,4)5)12-17(20(14)26)16-7-6-8-18-19(16)24-25-23-18/h6-8,11-12,23,25H,1,9-10H2,2-5H3/b17-16-