5-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-furyl]-2-chloro-benzoic acid Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C4=C(NNC4=O)C

InChI

InChI=1S/C20H17ClN4O5/c1-8-15(18(26)24-22-8)17(16-9(2)23-25-19(16)27)14-6-5-13(30-14)10-3-4-12(21)11(7-10)20(28)29/h3-7,17H,1-2H3,(H,28,29)(H2,22,24,26)(H2,23,25,27)