N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-3-nitro-benzamide

Systemtic Name: N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-3-nitro-benzamide Openeye Name: N-[4-(2,3-dihydrobenzofuran-2-ylmethylamino)butyl]-3-nitro-benzamide CAS Name: N-[4-(2,3-dihydrobenzofuran-2-ylmethylamino)butyl]-3-nitrobenzamide IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-3-nitrobenzamide Traditional Name: N-[4-(coumaran-2-ylmethylamino)butyl]-3-nitro-benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C21)CNCCCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C21)CNCCCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-20(16-7-5-8-17(12-16)23(25)26)22-11-4-3-10-21-14-18-13-15-6-1-2-9-19(15)27-18/h1-2,5-9,12,18,21H,3-4,10-11,13-14H2,(H,22,24)