[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18N2O7/c1-31-21-12-15(11-18-23(28)26-27(24(18)29)17-5-3-2-4-6-17)7-9-20(21)34-25(30)16-8-10-19-22(13-16)33-14-32-19/h2-13H,14H2,1H3,(H,26,28)