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

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

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O3/c1-12(2,3)10-14-11(18)16(15-10)9-6-7(17(19)20)4-5-8(9)13/h4-6H,1-3H3,(H,14,15,18)