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

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

Systemtic Name:5-butyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one
Openeye Name:5-butyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one
CAS Name:5-butyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one
IUPAC Name:5-butyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one
Traditional Name:5-butyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-3-one
Formula: C12H14N4O3
MolecularWeight: 262.26456
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-]


InChI

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


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