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

Systemtic Name: 4-(cyclopropylamino)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-29-20-10-15-8-13(2)30-21(15)11-16(20)12-23-22(26)14-4-7-18(24-17-5-6-17)19(9-14)25(27)28/h4,7,9-11,13,17,24H,3,5-6,8,12H2,1-2H3,(H,23,26)/t13-/m0/s1