[2-nitro-6-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-nitro-6-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-(benzoylhydrazono)methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-(benzoylhydrazinylidene)methyl]-6-nitrophenyl] ester IUPAC Name: [2-[(E)-(benzoylhydrazinylidene)methyl]-6-nitrophenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(E)-(benzoylhydrazono)methyl]-6-nitro-phenyl] ester Formula: C22H15N3O7 MolecularWeight: 433.3704

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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=NNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=CC=C3[N+](=O)[O-])/C=N/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H15N3O7/c26-21(14-5-2-1-3-6-14)24-23-12-16-7-4-8-17(25(28)29)20(16)32-22(27)15-9-10-18-19(11-15)31-13-30-18/h1-12H,13H2,(H,24,26)/b23-12+