[4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(piperonyloylhydrazono)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)NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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