2-chloranyl-5-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-furyl]benzoic acid Formula: C23H18ClN3O4 MolecularWeight: 435.85972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H18ClN3O4/c1-14-21(22(28)27(26(14)2)16-6-4-3-5-7-16)25-13-17-9-11-20(31-17)15-8-10-19(24)18(12-15)23(29)30/h3-13H,1-2H3,(H,29,30)