3-nitro-1-phenacyl-pyrazole-4-carbonitrile

Systemtic Name: 3-nitro-1-phenacyl-pyrazole-4-carbonitrile Openeye Name: 3-nitro-1-phenacyl-pyrazole-4-carbonitrile CAS Name: 3-nitro-1-phenacyl-4-pyrazolecarbonitrile IUPAC Name: 3-nitro-1-phenacylpyrazole-4-carbonitrile Traditional Name: 3-nitro-1-phenacyl-pyrazole-4-carbonitrile Formula: C12H8N4O3 MolecularWeight: 256.21692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=C(C(=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=C(C(=N2)[N+](=O)[O-])C#N

InChI

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