[4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]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=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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