5-[(4-chloranyl-2-nitro-phenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chloranyl-2-nitro-phenyl)methyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-2-nitro-phenyl)methyl]-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-2-nitrophenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-2-nitrophenyl)methyl]-1H-1,2,4-triazole Traditional Name: 5-(4-chloro-2-nitro-benzyl)-1H-1,2,4-triazole Formula: C9H7ClN4O2 MolecularWeight: 238.63048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CC2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CC2=NC=NN2

InChI

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