[3-[(3-cyano-7-methyl-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium

Systemtic Name: [3-[(3-cyano-7-methyl-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [3-[(3-cyano-7-methyl-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxy-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [3-[(3-cyano-7-methyl-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxypropyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [3-[(3-cyano-7-methyl-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxypropyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [3-[(3-cyano-2-keto-7-methyl-1H-quinolin-5-yl)oxy]-2-hydroxy-propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C22H30N5O7+ MolecularWeight: 476.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C(=O)N2)C#N)C(=C1)OCC(C[N+](C)(C)CCNC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=C(C(=O)N2)C#N)C(=C1)OCC(C[N+](C)(C)CCNC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C22H29N5O7/c1-15-9-19-18(11-16(12-23)22(30)25-19)20(10-15)33-14-17(28)13-27(2,3)7-6-24-21(29)5-4-8-34-26(31)32/h9-11,17,28H,4-8,13-14H2,1-3H3,(H-,24,25,29,30)/p+1