2-[[4-(4-nitrophenyl)-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-(4-nitrophenyl)-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-isopropoxycarbonyl-4-(4-nitrophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[4-(4-nitrophenyl)-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(4-nitrophenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-isopropoxycarbonyl-4-(4-nitrophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-12(2)31-22(28)18-17(13-7-9-14(10-8-13)24(29)30)11-32-20(18)23-19(25)15-5-3-4-6-16(15)21(26)27/h7-12,15-16H,3-6H2,1-2H3,(H,23,25)(H,26,27)