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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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