methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate Openeye Name: methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitro-2-furyl)vinyl]furan-2-carboxylate CAS Name: 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitro-2-furanyl)ethenyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate Traditional Name: 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitro-2-furyl)vinyl]furan-2-carboxylic acid methyl ester Formula: C20H16N2O9S MolecularWeight: 460.41404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)C(=O)OC)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C(=O)OC)/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O9S/c1-12(23)21-13-3-6-15(7-4-13)32(27,28)18(16-9-10-19(31-16)22(25)26)11-14-5-8-17(30-14)20(24)29-2/h3-11H,1-2H3,(H,21,23)/b18-11+