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

Systemtic Name: 2-[1-[4-(3-bromanylbutoxy)-5-methoxy-2-nitro-phenyl]carbonylpyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanyl-ethanal Openeye Name: 2-[1-[4-(3-bromobutoxy)-5-methoxy-2-nitro-benzoyl]pyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanyl-acetaldehyde CAS Name: 2-[[1-[[4-(3-bromobutoxy)-5-methoxy-2-nitrophenyl]-oxomethyl]-2-pyrrolidinyl]oxy]-2-ethoxy-2-(ethylthio)acetaldehyde IUPAC Name: 2-[1-[4-(3-bromobutoxy)-5-methoxy-2-nitrobenzoyl]pyrrolidin-2-yl]oxy-2-ethoxy-2-ethylsulfanylacetaldehyde Traditional Name: 2-[1-[4-(3-bromobutoxy)-5-methoxy-2-nitro-benzoyl]pyrrolidin-2-yl]oxy-2-ethoxy-2-(ethylthio)acetaldehyde Formula: C22H31BrN2O8S MolecularWeight: 563.45914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O8S/c1-5-32-22(14-26,34-6-2)33-20-8-7-10-24(20)21(27)16-12-18(30-4)19(13-17(16)25(28)29)31-11-9-15(3)23/h12-15,20H,5-11H2,1-4H3