(3,5-dimethyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone Openeye Name: (3,5-dimethyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone CAS Name: (3,5-dimethyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3/c1-7-12-8(2)14(13-7)11(16)9-4-3-5-10(6-9)15(17)18/h3-6H,1-2H3