3-[4-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[[5-(3-chloro-4-methyl-phenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[[5-(3-chloro-4-methylphenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[4-[[5-(3-chloro-4-methyl-phenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C)Cl

InChI

InChI=1S/C23H17ClN2O4/c1-13-6-7-15(11-20(13)24)21-9-8-18(30-21)12-19-14(2)25-26(22(19)27)17-5-3-4-16(10-17)23(28)29/h3-12H,1-2H3,(H,28,29)