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

Systemtic Name: 3-[(3E)-5-tert-butyl-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid 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 Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-19(2,3)12-9-10(4-7-15(24)25)8-11(18(12)26)16-13(20)5-6-14-17(16)22-23-21-14/h5-6,8-9,21,23H,4,7H2,1-3H3,(H,24,25)/b16-11-