2-(2-nitrooxyethyldisulfanyl)ethyl N-[2-[3-(phenylcarbonyl)phenyl]propanoyl]carbamate

Systemtic Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-[2-[3-(phenylcarbonyl)phenyl]propanoyl]carbamate Openeye Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-[2-(3-benzoylphenyl)propanoyl]carbamate CAS Name: N-[2-(3-benzoylphenyl)-1-oxopropyl]carbamic acid 2-(2-nitrooxyethyldisulfanyl)ethyl ester IUPAC Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-[2-(3-benzoylphenyl)propanoyl]carbamate Traditional Name: N-[2-(3-benzoylphenyl)propanoyl]carbamic acid 2-(2-nitrooxyethyldisulfanyl)ethyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)NC(=O)OCCSSCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)NC(=O)OCCSSCCO[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7S2/c1-15(17-8-5-9-18(14-17)19(24)16-6-3-2-4-7-16)20(25)22-21(26)29-10-12-31-32-13-11-30-23(27)28/h2-9,14-15H,10-13H2,1H3,(H,22,25,26)