methyl 4-[2,2-bis(acetyloxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[2,2-bis(acetyloxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[2,2-bis(acetoxymethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[2,2-bis(acetyloxymethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2,2-bis(acetyloxymethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[2,2-bis(acetoxymethyl)-5-keto-pyrrolidino]-3-nitro-benzoic acid methyl ester Formula: C18H20N2O9 MolecularWeight: 408.3594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCC(=O)N1C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])COC(=O)C

Isomeric SMILES

CC(=O)OCC1(CCC(=O)N1C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])COC(=O)C

InChI

InChI=1S/C18H20N2O9/c1-11(21)28-9-18(10-29-12(2)22)7-6-16(23)19(18)14-5-4-13(17(24)27-3)8-15(14)20(25)26/h4-5,8H,6-7,9-10H2,1-3H3