5-azanyl-1-(1,3-benzodioxol-5-ylcarbonyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1,3-benzodioxol-5-ylcarbonyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzodioxole-5-carbonyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzodioxole-5-carbonyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-piperonyloyl-pyrazole-4-carbonitrile Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C12H8N4O3/c13-4-8-5-15-16(11(8)14)12(17)7-1-2-9-10(3-7)19-6-18-9/h1-3,5H,6,14H2