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

Systemtic Name: methyl 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)15-11-12(8-9-17(24)26-4)10-14(19(15)25)13-6-5-7-16-18(13)22-23-21-16/h5-7,10-11,21,23H,8-9H2,1-4H3/b14-13-