ethyl 3-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[2-(2-thienyl)pyrrolidine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-[2-(2-thienyl)pyrrolidine-1-carbonyl]benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)13-9-12(10-14(11-13)20(23)24)17(21)19-7-3-5-15(19)16-6-4-8-26-16/h4,6,8-11,15H,2-3,5,7H2,1H3