5-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-3-methyl-4-piperonylidene-2-pyrazolin-1-yl]benzoic acid Formula: C19H13ClN2O5 MolecularWeight: 384.76992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H13ClN2O5/c1-10-13(6-11-2-5-16-17(7-11)27-9-26-16)18(23)22(21-10)12-3-4-15(20)14(8-12)19(24)25/h2-8H,9H2,1H3,(H,24,25)/b13-6-