2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5E)-5-(3-indolylidene)-1,2-dihydropyrazol-3-yl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5E)-5-indol-3-ylidene-1,2-dihydropyrazol-3-yl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5E)-5-indol-3-ylidene-3-pyrazolin-3-yl]cyclohexene-1-carboxylic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C2=CC(=C3C=NC4=CC=CC=C43)NN2)C(=O)O

Isomeric SMILES

C1CCC(=C(C1)C2=C/C(=C/3\C=NC4=CC=CC=C43)/NN2)C(=O)O

InChI

InChI=1S/C18H17N3O2/c22-18(23)13-7-2-1-5-11(13)16-9-17(21-20-16)14-10-19-15-8-4-3-6-12(14)15/h3-4,6,8-10,20-21H,1-2,5,7H2,(H,22,23)/b17-14-