methyl 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[2-(1-hydroxyethyl)-5-keto-2-methylol-pyrrolidino]-3-nitro-benzoic acid methyl ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCC(=O)N1C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])CO)O

Isomeric SMILES

CC(C1(CCC(=O)N1C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])CO)O

InChI

InChI=1S/C15H18N2O7/c1-9(19)15(8-18)6-5-13(20)16(15)11-4-3-10(14(21)24-2)7-12(11)17(22)23/h3-4,7,9,18-19H,5-6,8H2,1-2H3