5-azanyl-1-(2-chloroethyl)-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(2-chloroethyl)-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(2-chloroethyl)-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2-chloroethyl)-3-(1-methyl-5-nitro-2-imidazolyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2-chloroethyl)-3-(1-methyl-5-nitroimidazol-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(2-chloroethyl)-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile Formula: C10H10ClN7O2 MolecularWeight: 295.6851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C(=C2C#N)N)CCCl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C(=C2C#N)N)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClN7O2/c1-16-7(18(19)20)5-14-10(16)8-6(4-12)9(13)17(15-8)3-2-11/h5H,2-3,13H2,1H3