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

Systemtic Name: 2-chloranyl-4-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoic acid Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O4/c1-13-18(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)14-7-9-17(22(27)28)19(23)11-14/h2-12H,1H3,(H,27,28)/b18-12+