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

Systemtic Name: 2-[[4-(1-benzofuran-2-ylcarbonylamino)-3-methyl-phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]iminomethyl]-4-benzyl-6-nitro-phenolate CAS Name: 2-[[4-[[2-benzofuranyl(oxo)methyl]amino]-3-methylphenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-[[4-(1-benzofuran-2-carbonylamino)-3-methylphenyl]iminomethyl]-4-benzyl-6-nitrophenolate Traditional Name: 2-[[4-(benzofuran-2-carbonylamino)-3-methyl-phenyl]iminomethyl]-4-benzyl-6-nitro-phenolate Formula: C30H22N3O5- MolecularWeight: 504.51278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C30H23N3O5/c1-19-13-24(11-12-25(19)32-30(35)28-17-22-9-5-6-10-27(22)38-28)31-18-23-15-21(14-20-7-3-2-4-8-20)16-26(29(23)34)33(36)37/h2-13,15-18,34H,14H2,1H3,(H,32,35)/p-1