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

Systemtic Name: methyl 4-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]butanoate Openeye Name: methyl 4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy]butanoate CAS Name: 4-[4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxy-5-nitrophenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]butanoate Traditional Name: 4-[2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]-5-nitro-phenoxy]butyric acid methyl ester Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O8/c1-26-15-9-13(18(23)19-7-3-5-12(19)11-21)14(20(24)25)10-16(15)28-8-4-6-17(22)27-2/h9-10,12,21H,3-8,11H2,1-2H3/t12-/m0/s1