N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-nitro-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-nitro-1-(4-nitrobenzyl)-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C19H14N6O7 MolecularWeight: 438.35046

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O7/c26-19(21-20-8-13-3-6-16-17(7-13)32-11-31-16)18-15(25(29)30)10-23(22-18)9-12-1-4-14(5-2-12)24(27)28/h1-8,10H,9,11H2,(H,21,26)/b20-8+