4-[4-[(E)-indol-3-ylidenemethyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(E)-indol-3-ylidenemethyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-[(E)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-[(E)-3-indolylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-[(E)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-[(E)-indol-3-ylidenemethyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)/C=C\3/C=NC4=CC=CC=C43

InChI

InChI=1S/C20H15N3O3/c1-12-17(10-14-11-21-18-5-3-2-4-16(14)18)19(24)23(22-12)15-8-6-13(7-9-15)20(25)26/h2-11,22H,1H3,(H,25,26)/b14-10-