4-[[2-(2-azanyl-2-oxidanylidene-ethyl)-5-nitro-1,2,4-triazol-3-yl]oxy]-N,N-diethyl-3-methoxy-benzamide

Systemtic Name: 4-[[2-(2-azanyl-2-oxidanylidene-ethyl)-5-nitro-1,2,4-triazol-3-yl]oxy]-N,N-diethyl-3-methoxy-benzamide Openeye Name: 4-[[2-(2-amino-2-oxo-ethyl)-5-nitro-1,2,4-triazol-3-yl]oxy]-N,N-diethyl-3-methoxy-benzamide CAS Name: 4-[[2-(2-amino-2-oxoethyl)-5-nitro-1,2,4-triazol-3-yl]oxy]-N,N-diethyl-3-methoxybenzamide IUPAC Name: 4-[[2-(2-amino-2-oxoethyl)-5-nitro-1,2,4-triazol-3-yl]oxy]-N,N-diethyl-3-methoxybenzamide Traditional Name: 4-[[2-(2-amino-2-keto-ethyl)-5-nitro-1,2,4-triazol-3-yl]oxy]-N,N-diethyl-3-methoxy-benzamide Formula: C16H20N6O6 MolecularWeight: 392.3666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)OC2=NC(=NN2CC(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)OC2=NC(=NN2CC(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C16H20N6O6/c1-4-20(5-2)14(24)10-6-7-11(12(8-10)27-3)28-16-18-15(22(25)26)19-21(16)9-13(17)23/h6-8H,4-5,9H2,1-3H3,(H2,17,23)