3-azanyl-5-[(Z)-1-cyano-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[(Z)-1-cyano-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[(Z)-1-cyano-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[(Z)-1-cyano-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[(Z)-1-cyano-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[(Z)-1-cyano-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-1H-pyrazole-4-carbonitrile Formula: C14H8N6O4 MolecularWeight: 324.25112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N6O4/c15-4-8(13-9(5-16)14(17)19-18-13)1-7-2-11-12(24-6-23-11)3-10(7)20(21)22/h1-3H,6H2,(H3,17,18,19)/b8-1+