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

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-1,2,4-triazole Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-1,2,4-triazole CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 1-(4-chloro-3-nitro-benzyl)-1,2,4-triazole Formula: C9H7ClN4O2 MolecularWeight: 238.63048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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