2-[1-[4-(3-bromanylpropoxy)-5-methoxy-2-nitro-phenyl]carbonylpyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanyl-ethanal

Systemtic Name: 2-[1-[4-(3-bromanylpropoxy)-5-methoxy-2-nitro-phenyl]carbonylpyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanyl-ethanal Openeye Name: 2-[1-[4-(3-bromopropoxy)-5-methoxy-2-nitro-benzoyl]pyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanyl-acetaldehyde CAS Name: 2-[[1-[[4-(3-bromopropoxy)-5-methoxy-2-nitrophenyl]-oxomethyl]-2-pyrrolidinyl]oxy]-2-ethoxy-2-(ethylthio)acetaldehyde IUPAC Name: 2-[1-[4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoyl]pyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanylacetaldehyde Traditional Name: 2-[1-[4-(3-bromopropoxy)-5-methoxy-2-nitro-benzoyl]pyrrolidin-2-yl]oxy-2-ethoxy-2-(ethylthio)acetaldehyde Formula: C21H29BrN2O8S MolecularWeight: 549.43256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=O)(OC1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCCCBr)OC)SCC

Isomeric SMILES

CCOC(C=O)(OC1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCCCBr)OC)SCC

InChI

InChI=1S/C21H29BrN2O8S/c1-4-31-21(14-25,33-5-2)32-19-8-6-10-23(19)20(26)15-12-17(29-3)18(30-11-7-9-22)13-16(15)24(27)28/h12-14,19H,4-11H2,1-3H3