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

Systemtic Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-piperonylidene-2-pyrazolin-1-yl]benzoic acid Formula: C19H14N2O5 MolecularWeight: 350.32486

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O5/c1-11-15(8-12-2-7-16-17(9-12)26-10-25-16)18(22)21(20-11)14-5-3-13(4-6-14)19(23)24/h2-9H,10H2,1H3,(H,23,24)/b15-8-