ethyl 4,6-bis(bromanyl)-2-[[(4-chloranyl-2-nitro-phenyl)amino]methyl]-5-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4,6-bis(bromanyl)-2-[[(4-chloranyl-2-nitro-phenyl)amino]methyl]-5-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-2-[(4-chloro-2-nitro-anilino)methyl]-5-methoxy-benzofuran-3-carboxylate CAS Name: 4,6-dibromo-2-[(4-chloro-2-nitroanilino)methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-2-[(4-chloro-2-nitroanilino)methyl]-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-2-[(4-chloro-2-nitro-anilino)methyl]-5-methoxy-benzofuran-3-carboxylic acid ethyl ester Formula: C19H15Br2ClN2O6 MolecularWeight: 562.5932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CNC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CNC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15Br2ClN2O6/c1-3-29-19(25)16-14(8-23-11-5-4-9(22)6-12(11)24(26)27)30-13-7-10(20)18(28-2)17(21)15(13)16/h4-7,23H,3,8H2,1-2H3