3-[2,5-dimethyl-3-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3O3/c1-15-12-19(17(3)26(15)21-11-7-8-18(13-21)24(29)30)14-22-16(2)25-27(23(22)28)20-9-5-4-6-10-20/h4-14H,1-3H3,(H,29,30)/b22-14+