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

Systemtic Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-19(2,3)14-10-11(7-8-16(23)24)9-13(18(14)25)12-5-4-6-15-17(12)21-22-20-15/h4-6,9-10,20,22H,7-8H2,1-3H3,(H,23,24)/b13-12-