N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]-4-nitro-aniline

Systemtic Name: N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]-4-nitro-aniline Openeye Name: N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]benzofuran-5-yl]methyl]-4-nitro-aniline CAS Name: N-[[2-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-5-benzofuranyl]methyl]-4-nitroaniline IUPAC Name: N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]-4-nitroaniline Traditional Name: [2-[2-[(2R)-2-methylpyrrolidino]ethyl]benzofuran-5-yl]methyl-(4-nitrophenyl)amine Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCC2=CC3=C(O2)C=CC(=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c1-16-3-2-11-24(16)12-10-21-14-18-13-17(4-9-22(18)28-21)15-23-19-5-7-20(8-6-19)25(26)27/h4-9,13-14,16,23H,2-3,10-12,15H2,1H3/t16-/m1/s1