methyl 3-nitro-4-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate Traditional Name: 4-[2-keto-2-[2-(2-thienyl)pyrrolidino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC2C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC2C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-25-18(22)12-6-7-15(14(10-12)20(23)24)26-11-17(21)19-8-2-4-13(19)16-5-3-9-27-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3