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

Systemtic Name: methyl 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5/c1-12-16(9-13-3-8-17-18(10-13)27-11-26-17)19(23)22(21-12)15-6-4-14(5-7-15)20(24)25-2/h3-10H,11H2,1-2H3/b16-9-