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

Systemtic Name: 4-[(3E)-3-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butyl prop-2-enoate Openeye Name: 4-[(3E)-3-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]butyl prop-2-enoate CAS Name: 2-propenoic acid 4-[(3E)-3-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]butyl ester IUPAC Name: 4-[(3E)-3-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]butyl prop-2-enoate Traditional Name: acrylic acid 4-[(3E)-4-keto-3-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)cyclohexa-1,5-dien-1-yl]butyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=NNN2)C1=C3C=C(C=CC3=O)CCCCOC(=O)C=C

Isomeric SMILES

CC\1=CC=C2C(=NNN2)/C1=C/3\C=C(C=CC3=O)CCCCOC(=O)C=C

InChI

InChI=1S/C20H21N3O3/c1-3-18(25)26-11-5-4-6-14-8-10-17(24)15(12-14)19-13(2)7-9-16-20(19)22-23-21-16/h3,7-10,12,21,23H,1,4-6,11H2,2H3/b19-15+