3-azanyl-7-[2-(2-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one

Systemtic Name: 3-azanyl-7-[2-(2-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one Openeye Name: 3-amino-7-[2-(2-chloro-3-nitro-phenyl)-2-oxo-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one CAS Name: 3-amino-7-[2-(2-chloro-3-nitrophenyl)-2-oxoethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one IUPAC Name: 3-amino-7-[2-(2-chloro-3-nitrophenyl)-2-oxoethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one Traditional Name: 3-amino-7-[2-(2-chloro-3-nitro-phenyl)-2-keto-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one Formula: C12H8ClN7O4 MolecularWeight: 349.68942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)CC2=NC3=NN=C(N3NC2=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)CC2=NC3=NN=C(N3NC2=O)N

InChI

InChI=1S/C12H8ClN7O4/c13-9-5(2-1-3-7(9)20(23)24)8(21)4-6-10(22)18-19-11(14)16-17-12(19)15-6/h1-3H,4H2,(H2,14,16)(H,18,22)