4-ethoxycarbonyl-1-[7-(1-ethoxy-1-oxidanylidene-propan-2-yl)-3-oxidanylidene-1,2-dihydroinden-2-yl]imidazole-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-1-[7-(1-ethoxy-1-oxidanylidene-propan-2-yl)-3-oxidanylidene-1,2-dihydroinden-2-yl]imidazole-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-1-[4-(2-ethoxy-1-methyl-2-oxo-ethyl)-1-oxo-indan-2-yl]imidazole-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-[7-(1-ethoxy-1-oxopropan-2-yl)-3-oxo-1,2-dihydroinden-2-yl]-2-imidazolecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-[7-(1-ethoxy-1-oxopropan-2-yl)-3-oxo-1,2-dihydroinden-2-yl]imidazole-2-carboxylic acid Traditional Name: 4-carbethoxy-1-[4-(2-ethoxy-2-keto-1-methyl-ethyl)-1-keto-indan-2-yl]imidazole-2-carboxylic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=N1)C(=O)O)C2CC3=C(C2=O)C=CC=C3C(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN(C(=N1)C(=O)O)C2CC3=C(C2=O)C=CC=C3C(C)C(=O)OCC

InChI

InChI=1S/C21H22N2O7/c1-4-29-20(27)11(3)12-7-6-8-13-14(12)9-16(17(13)24)23-10-15(21(28)30-5-2)22-18(23)19(25)26/h6-8,10-11,16H,4-5,9H2,1-3H3,(H,25,26)