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

Systemtic Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-piperonylidene-2-pyrazolin-1-yl]benzoate Formula: C19H13N2O5- MolecularWeight: 349.31692

Click to see the large picture

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)/p-1/b15-8-