methyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]propanoate

Systemtic Name: methyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]propanoate Openeye Name: methyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy]propanoate CAS Name: 3-[4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxy-5-nitrophenoxy]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]propanoate Traditional Name: 3-[2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]-5-nitro-phenoxy]propionic acid methyl ester Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])OCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2CO)[N+](=O)[O-])OCCC(=O)OC

InChI

InChI=1S/C17H22N2O8/c1-25-14-8-12(17(22)18-6-3-4-11(18)10-20)13(19(23)24)9-15(14)27-7-5-16(21)26-2/h8-9,11,20H,3-7,10H2,1-2H3/t11-/m0/s1