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

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-[[(4-nitrophenyl)amino]methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-[(4-nitroanilino)methyl]benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-[(4-nitroanilino)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-[(4-nitroanilino)methyl]-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-[(4-nitroanilino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C19H16Br2N2O6 MolecularWeight: 528.14814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2O6/c1-3-28-19(24)16-14(9-22-10-4-6-11(7-5-10)23(25)26)29-13-8-12(20)18(27-2)17(21)15(13)16/h4-8,22H,3,9H2,1-2H3