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

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-morpholino-3-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-3-30-21-12-16-10-14(2)31-20(16)13-17(21)23-22(26)15-4-5-18(19(11-15)25(27)28)24-6-8-29-9-7-24/h4-5,11-14H,3,6-10H2,1-2H3,(H,23,26)/t14-/m0/s1