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

Systemtic Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-3-30-20-10-16-8-14(2)31-21(16)11-17(20)12-24-22(27)15-4-5-18(19(9-15)26(28)29)25-7-6-23-13-25/h4-7,9-11,13-14H,3,8,12H2,1-2H3,(H,24,27)