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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-4-nitro-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O5/c1-17-6-9(18(20)21)12(16-17)13(19)15-14-5-8-2-3-10-11(4-8)23-7-22-10/h2-6H,7H2,1H3,(H,15,19)/b14-5+