4-[1-[4-[(E)-indol-2-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]ethyl]benzoic acid

Systemtic Name: 4-[1-[4-[(E)-indol-2-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]ethyl]benzoic acid Openeye Name: 4-[1-[4-[(E)-indol-2-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]ethyl]benzoic acid CAS Name: 4-[1-[4-[(E)-2-indolylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]ethyl]benzoic acid IUPAC Name: 4-[1-[4-[(E)-indol-2-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]ethyl]benzoic acid Traditional Name: 4-[1-[4-[(E)-indol-2-ylidenemethyl]-5-keto-3-pyrazolin-3-yl]ethyl]benzoic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)C2=C(C(=O)NN2)C=C3C=C4C=CC=CC4=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)C2=C(C(=O)NN2)/C=C/3\C=C4C=CC=CC4=N3

InChI

InChI=1S/C21H17N3O3/c1-12(13-6-8-14(9-7-13)21(26)27)19-17(20(25)24-23-19)11-16-10-15-4-2-3-5-18(15)22-16/h2-12H,1H3,(H,26,27)(H2,23,24,25)/b16-11+