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

Systemtic Name: methyl 5-nitro-2-(2-thiophen-3-ylpyrrolidin-1-yl)benzoate Openeye Name: methyl 5-nitro-2-[2-(3-thienyl)pyrrolidin-1-yl]benzoate CAS Name: 5-nitro-2-[2-(3-thiophenyl)-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(2-thiophen-3-ylpyrrolidin-1-yl)benzoate Traditional Name: 5-nitro-2-[2-(3-thienyl)pyrrolidino]benzoic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2C3=CSC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2C3=CSC=C3

InChI

InChI=1S/C16H16N2O4S/c1-22-16(19)13-9-12(18(20)21)4-5-15(13)17-7-2-3-14(17)11-6-8-23-10-11/h4-6,8-10,14H,2-3,7H2,1H3