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

Systemtic Name: 4-azanyl-2-(4-chloranyl-3-nitro-phenyl)-5-methyl-1,2,4-triazol-3-one Openeye Name: 4-amino-2-(4-chloro-3-nitro-phenyl)-5-methyl-1,2,4-triazol-3-one CAS Name: 4-amino-2-(4-chloro-3-nitrophenyl)-5-methyl-1,2,4-triazol-3-one IUPAC Name: 4-amino-2-(4-chloro-3-nitrophenyl)-5-methyl-1,2,4-triazol-3-one Traditional Name: 4-amino-2-(4-chloro-3-nitro-phenyl)-5-methyl-1,2,4-triazol-3-one Formula: C9H8ClN5O3 MolecularWeight: 269.64452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H8ClN5O3/c1-5-12-14(9(16)13(5)11)6-2-3-7(10)8(4-6)15(17)18/h2-4H,11H2,1H3