5-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile CAS Name: 5-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)pyrazole-4-carbonitrile Traditional Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-piperonylideneamino]pyrazole-4-carbonitrile Formula: C17H13N7O4 MolecularWeight: 379.32962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C(=C2C#N)N=CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C(=C2C#N)/N=C/C3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O4/c1-22-14(24(25)26)8-20-17(22)15-11(6-18)16(23(2)21-15)19-7-10-3-4-12-13(5-10)28-9-27-12/h3-5,7-8H,9H2,1-2H3/b19-7+