[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenyl] ester IUPAC Name: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] ester Formula: C24H15N3O8 MolecularWeight: 473.3912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=CC=C3[N+](=O)[O-])C=C4C(=O)NN(C4=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=CC=C3[N+](=O)[O-])C=C4C(=O)NN(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C24H15N3O8/c28-22-17(23(29)26(25-22)16-6-2-1-3-7-16)11-14-5-4-8-18(27(31)32)21(14)35-24(30)15-9-10-19-20(12-15)34-13-33-19/h1-12H,13H2,(H,25,28)