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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=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/C26H20N2O7/c1-2-32-22-13-16(12-19-24(29)27-28(25(19)30)18-6-4-3-5-7-18)8-10-21(22)35-26(31)17-9-11-20-23(14-17)34-15-33-20/h3-14H,2,15H2,1H3,(H,27,29)