[2-[2-(2-nitrooxyethyldisulfanyl)ethoxycarbonylcarbamoyl]phenyl] ethanoate

Systemtic Name: [2-[2-(2-nitrooxyethyldisulfanyl)ethoxycarbonylcarbamoyl]phenyl] ethanoate Openeye Name: [2-[2-(2-nitrooxyethyldisulfanyl)ethoxycarbonylcarbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[2-(2-nitrooxyethyldisulfanyl)ethoxy-oxomethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[2-(2-nitrooxyethyldisulfanyl)ethoxycarbonylcarbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[2-(2-nitrooxyethyldisulfanyl)ethoxycarbonylcarbamoyl]phenyl] ester Formula: C14H16N2O8S2 MolecularWeight: 404.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC(=O)OCCSSCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC(=O)OCCSSCCO[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O8S2/c1-10(17)24-12-5-3-2-4-11(12)13(18)15-14(19)22-6-8-25-26-9-7-23-16(20)21/h2-5H,6-9H2,1H3,(H,15,18,19)