2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone CAS Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone IUPAC Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone Traditional Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O3/c1-8-12-11(15(17)18)13-14(8)7-10(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3