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

Systemtic Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-ethoxy-2-methyl-coumaran-6-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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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)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-29-21-12-16-10-14(2)30-20(16)13-17(21)23-22(26)15-6-7-18(19(11-15)25(27)28)24-8-4-5-9-24/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,23,26)