O1-acetamido O3-ethyl 2-ethyl-2-[[5-(4-nitrophenyl)furan-2-yl]methyl]propanedioate

Systemtic Name: O1-acetamido O3-ethyl 2-ethyl-2-[[5-(4-nitrophenyl)furan-2-yl]methyl]propanedioate Openeye Name: O1-acetamido O3-ethyl 2-ethyl-2-[[5-(4-nitrophenyl)-2-furyl]methyl]propanedioate CAS Name: 2-ethyl-2-[[5-(4-nitrophenyl)-2-furanyl]methyl]propanedioic acid O1-acetamido ester O3-ethyl ester IUPAC Name: 1-O-acetamido 3-O-ethyl 2-ethyl-2-[[5-(4-nitrophenyl)furan-2-yl]methyl]propanedioate Traditional Name: 2-ethyl-2-[[5-(4-nitrophenyl)-2-furyl]methyl]malonic acid O1-acetamido ester O3-ethyl ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC)C(=O)ONC(=O)C

Isomeric SMILES

CCC(CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC)C(=O)ONC(=O)C

InChI

InChI=1S/C20H22N2O8/c1-4-20(18(24)28-5-2,19(25)30-21-13(3)23)12-16-10-11-17(29-16)14-6-8-15(9-7-14)22(26)27/h6-11H,4-5,12H2,1-3H3,(H,21,23)