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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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