1-butyl-8-imidazol-1-yl-7-nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Systemtic Name: 1-butyl-8-imidazol-1-yl-7-nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one Openeye Name: 1-butyl-8-imidazol-1-yl-7-nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one CAS Name: 1-butyl-8-(1-imidazolyl)-7-nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one IUPAC Name: 1-butyl-8-imidazol-1-yl-7-nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one Traditional Name: 1-butyl-8-imidazol-1-yl-7-nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one Formula: C16H15N7O3 MolecularWeight: 353.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C2N1C3=CC(=C(C=C3NC2=O)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

CCCCC1=NN=C2N1C3=CC(=C(C=C3NC2=O)[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C16H15N7O3/c1-2-3-4-14-19-20-15-16(24)18-10-7-13(23(25)26)12(8-11(10)22(14)15)21-6-5-17-9-21/h5-9H,2-4H2,1H3,(H,18,24)