5-butyl-2-(2-chloranyl-4-nitro-phenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-(2-chloranyl-4-nitro-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(2-chloro-4-nitro-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(2-chloro-4-nitrophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(2-chloro-4-nitrophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(2-chloro-4-nitro-phenyl)-1H-1,2,4-triazol-3-one Formula: C12H13ClN4O3 MolecularWeight: 296.70962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O3/c1-2-3-4-11-14-12(18)16(15-11)10-6-5-8(17(19)20)7-9(10)13/h5-7H,2-4H2,1H3,(H,14,15,18)