2-[2,4-bis(chloranyl)-5-nitro-phenyl]-5-methyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[2,4-bis(chloranyl)-5-nitro-phenyl]-5-methyl-1H-1,2,4-triazol-3-one Openeye Name: 2-(2,4-dichloro-5-nitro-phenyl)-5-methyl-1H-1,2,4-triazol-3-one CAS Name: 2-(2,4-dichloro-5-nitrophenyl)-5-methyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-(2,4-dichloro-5-nitrophenyl)-5-methyl-1H-1,2,4-triazol-3-one Traditional Name: 2-(2,4-dichloro-5-nitro-phenyl)-5-methyl-1H-1,2,4-triazol-3-one Formula: C9H6Cl2N4O3 MolecularWeight: 289.07494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)N(N1)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H6Cl2N4O3/c1-4-12-9(16)14(13-4)7-3-8(15(17)18)6(11)2-5(7)10/h2-3H,1H3,(H,12,13,16)