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

Systemtic Name: methyl 4-[2-(bromomethyl)-5-oxidanylidene-2-(phenylcarbonyloxymethyl)pyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[2-(benzoyloxymethyl)-2-(bromomethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[2-(benzoyloxymethyl)-2-(bromomethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(benzoyloxymethyl)-2-(bromomethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[2-(benzoyloxymethyl)-2-(bromomethyl)-5-keto-pyrrolidino]-3-nitro-benzoic acid methyl ester Formula: C21H19BrN2O7 MolecularWeight: 491.28876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2(COC(=O)C3=CC=CC=C3)CBr)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C(=O)CCC2(COC(=O)C3=CC=CC=C3)CBr)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN2O7/c1-30-19(26)15-7-8-16(17(11-15)24(28)29)23-18(25)9-10-21(23,12-22)13-31-20(27)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3