3-[2-[[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]amino]ethylcarbamoylamino]propyl nitrate

Systemtic Name: 3-[2-[[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]amino]ethylcarbamoylamino]propyl nitrate Openeye Name: 3-[2-[[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]amino]ethylcarbamoylamino]propyl nitrate CAS Name: nitric acid 3-[[[2-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amino]ethylamino]-oxomethyl]amino]propyl ester IUPAC Name: 3-[2-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amino]ethylcarbamoylamino]propyl nitrate Traditional Name: nitric acid 3-[2-[[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]amino]ethylcarbamoylamino]propyl ester Formula: C16H25ClN4O6 MolecularWeight: 404.8459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(CNCCNC(=O)NCCCO[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(CNCCNC(=O)NCCCO[N+](=O)[O-])O

InChI

InChI=1S/C16H25ClN4O6/c1-12-3-4-14(17)15(9-12)26-11-13(22)10-18-6-7-20-16(23)19-5-2-8-27-21(24)25/h3-4,9,13,18,22H,2,5-8,10-11H2,1H3,(H2,19,20,23)