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

Systemtic Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(ethylamino)-3-nitro-benzamide Openeye Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-(ethylamino)-3-nitro-benzamide CAS Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(ethylamino)-3-nitrobenzamide Traditional Name: N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-4-(ethylamino)-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NCC2=C(C=C3CC(OC3=C2)C)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NCC2=C(C=C3CC(OC3=C2)C)OCC)[N+](=O)[O-]

InChI

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