2-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methyl-phenyl]iminomethyl]-4-bromanyl-6-nitro-phenolate

Systemtic Name: 2-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methyl-phenyl]iminomethyl]-4-bromanyl-6-nitro-phenolate Openeye Name: 2-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]iminomethyl]-4-bromo-6-nitro-phenolate CAS Name: 2-[[4-[[2-benzofuranyl(oxo)methyl]amino]-3-methylphenyl]iminomethyl]-4-bromo-6-nitrophenolate IUPAC Name: 2-[[4-(1-benzofuran-2-carbonylamino)-3-methylphenyl]iminomethyl]-4-bromo-6-nitrophenolate Traditional Name: 2-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]iminomethyl]-4-bromo-6-nitro-phenolate Formula: C23H15BrN3O5- MolecularWeight: 493.2863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H16BrN3O5/c1-13-8-17(25-12-15-9-16(24)11-19(22(15)28)27(30)31)6-7-18(13)26-23(29)21-10-14-4-2-3-5-20(14)32-21/h2-12,28H,1H3,(H,26,29)/p-1