(2-chloranyl-5-nitro-phenyl)methyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C20H20ClN2O5+ MolecularWeight: 403.8362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN2O5/c1-3-27-20(24)19-16(15-6-4-5-7-18(15)28-19)12-22(2)11-13-10-14(23(25)26)8-9-17(13)21/h4-10H,3,11-12H2,1-2H3/p+1