ethyl 3-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]coumarilic acid ethyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(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