N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(5-ethoxy-2-methyl-coumaran-6-yl)-4-mesyl-3-nitro-benzamide Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-4-27-17-9-13-7-11(2)28-16(13)10-14(17)20-19(22)12-5-6-18(29(3,25)26)15(8-12)21(23)24/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)