2-[3-azanyl-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[3-azanyl-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[3-amino-6-[2-(3-nitrophenyl)-2-oxo-ethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[3-amino-6-[2-(3-nitrophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[3-amino-6-[2-(3-nitrophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[3-amino-6-[2-keto-2-(3-nitrophenyl)ethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-(3-nitrophenyl)ethanone Formula: C20H14N8O6 MolecularWeight: 462.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2=NC3=NN=C(N3N=C2CC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2=NC3=NN=C(N3N=C2CC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C20H14N8O6/c21-19-23-24-20-22-15(9-17(29)11-3-1-5-13(7-11)27(31)32)16(25-26(19)20)10-18(30)12-4-2-6-14(8-12)28(33)34/h1-8H,9-10H2,(H2,21,23)