2-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl-ethanoyl-amino]sulfanylethyl nitrate

Systemtic Name: 2-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl-ethanoyl-amino]sulfanylethyl nitrate Openeye Name: 2-[acetyl-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]amino]sulfanylethyl nitrate CAS Name: nitric acid 2-[[acetyl-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]amino]thio]ethyl ester IUPAC Name: 2-[acetyl-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]amino]sulfanylethyl nitrate Traditional Name: nitric acid 2-[[acetyl-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]amino]thio]ethyl ester Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCNCC(COC1=CC=CC=C1C#N)O)SCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CCNCC(COC1=CC=CC=C1C#N)O)SCCO[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O6S/c1-13(21)19(27-9-8-26-20(23)24)7-6-18-11-15(22)12-25-16-5-3-2-4-14(16)10-17/h2-5,15,18,22H,6-9,11-12H2,1H3