2-[[1-(2-dimethylaminoethyl)-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[1-(2-dimethylaminoethyl)-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[1-(2-dimethylaminoethyl)-5-nitro-2-oxo-pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[1-(2-dimethylaminoethyl)-5-nitro-2-oxo-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-(2-dimethylaminoethyl)-5-nitro-2-oxopyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[1-(2-dimethylaminoethyl)-2-keto-5-nitro-nicotinoyl]amino]ethyl ester Formula: C12H17N5O7 MolecularWeight: 343.29268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=C(C=C(C1=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN1C=C(C=C(C1=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O7/c1-14(2)4-5-15-8-9(16(20)21)7-10(12(15)19)11(18)13-3-6-24-17(22)23/h7-8H,3-6H2,1-2H3,(H,13,18)