[4-[[4-acetyloxy-3-(3-nitroprop-1-en-2-ylcarbamoyl)phenyl]disulfanyl]-2-(2-nitrooxyethylcarbamoyl)phenyl] ethanoate

Systemtic Name: [4-[[4-acetyloxy-3-(3-nitroprop-1-en-2-ylcarbamoyl)phenyl]disulfanyl]-2-(2-nitrooxyethylcarbamoyl)phenyl] ethanoate Openeye Name: [4-[[4-acetoxy-3-[1-(nitromethyl)vinylcarbamoyl]phenyl]disulfanyl]-2-(2-nitrooxyethylcarbamoyl)phenyl] acetate CAS Name: acetic acid [4-[[4-acetyloxy-3-[(3-nitroprop-1-en-2-ylamino)-oxomethyl]phenyl]disulfanyl]-2-[(2-nitrooxyethylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-acetyloxy-3-(3-nitroprop-1-en-2-ylcarbamoyl)phenyl]disulfanyl]-2-(2-nitrooxyethylcarbamoyl)phenyl] acetate Traditional Name: acetic acid [4-[[4-acetoxy-3-[1-(nitromethyl)vinylcarbamoyl]phenyl]disulfanyl]-2-(2-nitrooxyethylcarbamoyl)phenyl] ester Formula: C23H22N4O11S2 MolecularWeight: 594.57098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)SSC2=CC(=C(C=C2)OC(=O)C)C(=O)NC(=C)C[N+](=O)[O-])C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)SSC2=CC(=C(C=C2)OC(=O)C)C(=O)NC(=C)C[N+](=O)[O-])C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O11S2/c1-13(12-26(32)33)25-23(31)19-11-17(5-7-21(19)38-15(3)29)40-39-16-4-6-20(37-14(2)28)18(10-16)22(30)24-8-9-36-27(34)35/h4-7,10-11H,1,8-9,12H2,2-3H3,(H,24,30)(H,25,31)