[3-[(3-cyano-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium

Systemtic Name: [3-[(3-cyano-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [3-[(3-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxy-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [3-[(3-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxypropyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [3-[(3-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxypropyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [3-[(3-cyano-2-keto-1H-quinolin-5-yl)oxy]-2-hydroxy-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C21H28N5O7+ MolecularWeight: 462.47632

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC2=C1C=C(C(=O)N2)C#N)O

Isomeric SMILES

C[N+](C)(CCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC2=C1C=C(C(=O)N2)C#N)O

InChI

InChI=1S/C21H27N5O7/c1-26(2,9-8-23-20(28)7-4-10-33-25(30)31)13-16(27)14-32-19-6-3-5-18-17(19)11-15(12-22)21(29)24-18/h3,5-6,11,16,27H,4,7-10,13-14H2,1-2H3,(H-,23,24,28,29)/p+1