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

Systemtic Name: methyl 3-[(3E)-5-tert-butyl-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid methyl ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C2C(=CC=C3C2=NNN3)Cl)C1=O)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C/C(=C/2\C(=CC=C3C2=NNN3)Cl)/C1=O)CCC(=O)OC

InChI

InChI=1S/C20H22ClN3O3/c1-20(2,3)13-10-11(5-8-16(25)27-4)9-12(19(13)26)17-14(21)6-7-15-18(17)23-24-22-15/h6-7,9-10,22,24H,5,8H2,1-4H3/b17-12-