1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole Openeye Name: 1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole CAS Name: 1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole Traditional Name: 1-(4-chlorobenzyl)-3-nitro-1,2,4-triazole Formula: C9H7ClN4O2 MolecularWeight: 238.63048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])Cl

InChI

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