1-[5-[bis(chloranyl)methyl]-4-nitro-1-phenyl-pyrazol-3-yl]-1,2,4-triazole

Systemtic Name: 1-[5-[bis(chloranyl)methyl]-4-nitro-1-phenyl-pyrazol-3-yl]-1,2,4-triazole Openeye Name: 1-[5-(dichloromethyl)-4-nitro-1-phenyl-pyrazol-3-yl]-1,2,4-triazole CAS Name: 1-[5-(dichloromethyl)-4-nitro-1-phenyl-3-pyrazolyl]-1,2,4-triazole IUPAC Name: 1-[5-(dichloromethyl)-4-nitro-1-phenylpyrazol-3-yl]-1,2,4-triazole Traditional Name: 1-[5-(dichloromethyl)-4-nitro-1-phenyl-pyrazol-3-yl]-1,2,4-triazole Formula: C12H8Cl2N6O2 MolecularWeight: 339.13692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)N3C=NC=N3)[N+](=O)[O-])C(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)N3C=NC=N3)[N+](=O)[O-])C(Cl)Cl

InChI

InChI=1S/C12H8Cl2N6O2/c13-11(14)9-10(20(21)22)12(18-7-15-6-16-18)17-19(9)8-4-2-1-3-5-8/h1-7,11H