(3-azanylidene-3-methoxy-propyl) 5-[[3-(3-azanylidene-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-benzoate

Systemtic Name: (3-azanylidene-3-methoxy-propyl) 5-[[3-(3-azanylidene-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-benzoate Openeye Name: (3-imino-3-methoxy-propyl) 5-[[3-(3-imino-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-benzoate CAS Name: 5-[[3-[(3-imino-3-methoxypropoxy)-oxomethyl]-4-nitrophenyl]disulfanyl]-2-nitrobenzoic acid (3-imino-3-methoxypropyl) ester IUPAC Name: (3-imino-3-methoxypropyl) 5-[[3-(3-imino-3-methoxypropoxy)carbonyl-4-nitrophenyl]disulfanyl]-2-nitrobenzoate Traditional Name: 5-[[3-(3-imino-3-methoxy-propoxy)carbonyl-4-nitro-phenyl]disulfanyl]-2-nitro-benzoic acid (3-imino-3-methoxy-propyl) ester Formula: C22H22N4O10S2 MolecularWeight: 566.56088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)CCOC(=O)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=N)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=N)CCOC(=O)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=N)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O10S2/c1-33-19(23)7-9-35-21(27)15-11-13(3-5-17(15)25(29)30)37-38-14-4-6-18(26(31)32)16(12-14)22(28)36-10-8-20(24)34-2/h3-6,11-12,23-24H,7-10H2,1-2H3