5-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-ethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-methyl-hexanoic acid

Systemtic Name: 5-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-ethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-methyl-hexanoic acid Openeye Name: 5-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-ethyl-4-oxo-cyclohexa-1,5-dien-1-yl]-5-methyl-hexanoic acid CAS Name: 5-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-ethyl-4-oxo-1-cyclohexa-1,5-dienyl]-5-methylhexanoic acid IUPAC Name: 5-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-ethyl-4-oxocyclohexa-1,5-dien-1-yl]-5-methylhexanoic acid Traditional Name: 5-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-5-ethyl-4-keto-cyclohexa-1,5-dien-1-yl]-5-methyl-hexanoic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C2C=CC=C3C2=NNN3)C1=O)C(C)(C)CCCC(=O)O

Isomeric SMILES

CCC1=CC(=C/C(=C/2\C=CC=C3C2=NNN3)/C1=O)C(C)(C)CCCC(=O)O

InChI

InChI=1S/C21H25N3O3/c1-4-13-11-14(21(2,3)10-6-9-18(25)26)12-16(20(13)27)15-7-5-8-17-19(15)23-24-22-17/h5,7-8,11-12,22,24H,4,6,9-10H2,1-3H3,(H,25,26)/b16-15-