(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-phenyl-pyrazole-3-carboxylic acid CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1-phenylpyrazole-3-carboxylic acid Traditional Name: (4Z)-5-keto-1-phenyl-4-piperonylidene-2-pyrazoline-3-carboxylic acid Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H12N2O5/c21-17-13(8-11-6-7-14-15(9-11)25-10-24-14)16(18(22)23)19-20(17)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,23)/b13-8-