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

Systemtic Name: 2,4-dimethyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one Openeye Name: 2,4-dimethyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one CAS Name: 2,4-dimethyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 2,4-dimethyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 2,4-dimethyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one Formula: C10H10N4O3 MolecularWeight: 234.2114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN(C1=O)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O3/c1-12-9(11-13(2)10(12)15)7-5-3-4-6-8(7)14(16)17/h3-6H,1-2H3