[2-[(E)-(furan-2-ylcarbonylhydrazinylidene)methyl]-4-nitro-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(E)-(furan-2-ylcarbonylhydrazinylidene)methyl]-4-nitro-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-(furan-2-carbonylhydrazono)methyl]-4-nitro-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-[[2-furanyl(oxo)methyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(E)-(2-furoylhydrazono)methyl]-4-nitro-phenyl] ester Formula: C20H13N3O8 MolecularWeight: 423.33252

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C=NNC(=O)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])/C=N/NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H13N3O8/c24-19(17-2-1-7-28-17)22-21-10-13-8-14(23(26)27)4-6-15(13)31-20(25)12-3-5-16-18(9-12)30-11-29-16/h1-10H,11H2,(H,22,24)/b21-10+