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

Systemtic Name: 3-[(3Z)-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3Z)-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3Z)-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3Z)-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-[(3Z)-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C15H12ClN3O3 MolecularWeight: 317.72708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=C2C(=CC=C3C2=NNN3)Cl)C=C1CCC(=O)O

Isomeric SMILES

C1=CC(=O)/C(=C/2\C(=CC=C3C2=NNN3)Cl)/C=C1CCC(=O)O

InChI

InChI=1S/C15H12ClN3O3/c16-10-3-4-11-15(18-19-17-11)14(10)9-7-8(1-5-12(9)20)2-6-13(21)22/h1,3-5,7,17,19H,2,6H2,(H,21,22)/b14-9+