2-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-5-nitro-benzamide Openeye Name: 2-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-5-nitro-benzamide CAS Name: 2-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-5-nitrobenzamide IUPAC Name: 2-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-5-nitrobenzamide Traditional Name: 2-(dimethylamino)-N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-5-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-5-28-19-9-14-8-13(2)29-20(14)10-15(19)12-22-21(25)17-11-16(24(26)27)6-7-18(17)23(3)4/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,22,25)