[2-[(E)-[(4-methylphenyl)carbonylhydrazinylidene]methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(E)-[(4-methylphenyl)carbonylhydrazinylidene]methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-[(4-methylbenzoyl)hydrazono]methyl]-6-nitro-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-[[(4-methylphenyl)-oxomethyl]hydrazinylidene]methyl]-6-nitrophenyl] ester IUPAC Name: [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-nitro-6-[(E)-(p-toluoylhydrazono)methyl]phenyl] ester Formula: C23H17N3O7 MolecularWeight: 447.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H17N3O7/c1-14-5-7-15(8-6-14)22(27)25-24-12-17-3-2-4-18(26(29)30)21(17)33-23(28)16-9-10-19-20(11-16)32-13-31-19/h2-12H,13H2,1H3,(H,25,27)/b24-12+