1-[2-(chloromethyl)-4-nitro-phenyl]-1,2,4-triazole

Systemtic Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-1,2,4-triazole Openeye Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-1,2,4-triazole CAS Name: 1-[2-(chloromethyl)-4-nitrophenyl]-1,2,4-triazole IUPAC Name: 1-[2-(chloromethyl)-4-nitrophenyl]-1,2,4-triazole Traditional Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-1,2,4-triazole Formula: C9H7ClN4O2 MolecularWeight: 238.63048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CCl)N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CCl)N2C=NC=N2

InChI

InChI=1S/C9H7ClN4O2/c10-4-7-3-8(14(15)16)1-2-9(7)13-6-11-5-12-13/h1-3,5-6H,4H2