N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-5-carboxamide Formula: C12H9N5O5 MolecularWeight: 303.23036

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=NN3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O5/c18-12(8-1-2-13-15-8)16-14-5-7-3-10-11(22-6-21-10)4-9(7)17(19)20/h1-5H,6H2,(H,13,15)(H,16,18)/b14-5+