2-(2-methylpropyl)-1-(4-nitrophenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(2-methylpropyl)-1-(4-nitrophenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-isobutyl-1-(4-nitrobenzoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(2-methylpropyl)-1-[(4-nitrophenyl)-oxomethyl]-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(2-methylpropyl)-1-(4-nitrobenzoyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-isobutyl-1-(4-nitrobenzoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22N2O7S/c1-12(2)10-21(20(27)28)11-15(19(25)26)17(16-4-3-9-31-16)22(21)18(24)13-5-7-14(8-6-13)23(29)30/h3-9,12,15,17H,10-11H2,1-2H3,(H,25,26)(H,27,28)