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

Systemtic Name: 2-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methyl-phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-[[2-benzofuranyl(oxo)methyl]amino]-3-methylphenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[4-(1-benzofuran-2-carbonylamino)-3-methylphenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]iminomethyl]-6-nitro-phenolate Formula: C23H16N3O5- MolecularWeight: 414.39024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O5/c1-14-11-17(24-13-16-6-4-7-19(22(16)27)26(29)30)9-10-18(14)25-23(28)21-12-15-5-2-3-8-20(15)31-21/h2-13,27H,1H3,(H,25,28)/p-1