3-azanyl-5-[(Z)-2-[2,4-bis(chloranyl)-5-nitro-phenyl]-1-cyano-ethenyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[(Z)-2-[2,4-bis(chloranyl)-5-nitro-phenyl]-1-cyano-ethenyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[(Z)-1-cyano-2-(2,4-dichloro-5-nitro-phenyl)vinyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[(Z)-1-cyano-2-(2,4-dichloro-5-nitrophenyl)ethenyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[(Z)-1-cyano-2-(2,4-dichloro-5-nitrophenyl)ethenyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[(Z)-1-cyano-2-(2,4-dichloro-5-nitro-phenyl)vinyl]-1H-pyrazole-4-carbonitrile Formula: C13H6Cl2N6O2 MolecularWeight: 349.13174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)C=C(C#N)C2=C(C(=NN2)N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)/C=C(\C#N)/C2=C(C(=NN2)N)C#N

InChI

InChI=1S/C13H6Cl2N6O2/c14-9-3-10(15)11(21(22)23)2-6(9)1-7(4-16)12-8(5-17)13(18)20-19-12/h1-3H,(H3,18,19,20)/b7-1+