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

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-5-methyl-1H-1,2,4-triazol-3-one Openeye Name: 2-(4-chloro-3-nitro-phenyl)-5-methyl-1H-1,2,4-triazol-3-one CAS Name: 2-(4-chloro-3-nitrophenyl)-5-methyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-(4-chloro-3-nitrophenyl)-5-methyl-1H-1,2,4-triazol-3-one Traditional Name: 2-(4-chloro-3-nitro-phenyl)-5-methyl-1H-1,2,4-triazol-3-one Formula: C9H7ClN4O3 MolecularWeight: 254.62988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClN4O3/c1-5-11-9(15)13(12-5)6-2-3-7(10)8(4-6)14(16)17/h2-4H,1H3,(H,11,12,15)