2-butan-2-yl-4-(2-nitrophenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-(2-nitrophenyl)-1,2,4-triazol-3-one Openeye Name: 4-(2-nitrophenyl)-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-(2-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-(2-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 4-(2-nitrophenyl)-2-sec-butyl-1,2,4-triazol-3-one Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3/c1-3-9(2)15-12(17)14(8-13-15)10-6-4-5-7-11(10)16(18)19/h4-9H,3H2,1-2H3