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

Systemtic Name: 2-chloranyl-5-[(4E)-4-(furan-2-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-4-(2-furylmethylene)-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-4-(2-furanylmethylidene)-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-4-(furan-2-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-4-(2-furfurylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CO2)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CO2)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClN2O4/c1-9-12(8-11-3-2-6-23-11)15(20)19(18-9)10-4-5-14(17)13(7-10)16(21)22/h2-8H,1H3,(H,21,22)/b12-8+