4-[(3-methylimidazol-4-yl)-[7-(3-methylphenyl)-5-nitro-1-benzofuran-2-yl]-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-4-yl)-[7-(3-methylphenyl)-5-nitro-1-benzofuran-2-yl]-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[hydroxy-(3-methylimidazol-4-yl)-[7-(m-tolyl)-5-nitro-benzofuran-2-yl]methyl]benzonitrile CAS Name: 4-[hydroxy-(3-methyl-4-imidazolyl)-[7-(3-methylphenyl)-5-nitro-2-benzofuranyl]methyl]benzonitrile IUPAC Name: 4-[hydroxy-(3-methylimidazol-4-yl)-[7-(3-methylphenyl)-5-nitro-1-benzofuran-2-yl]methyl]benzonitrile Traditional Name: 4-[hydroxy-(3-methylimidazol-4-yl)-[7-(m-tolyl)-5-nitro-benzofuran-2-yl]methyl]benzonitrile Formula: C27H20N4O4 MolecularWeight: 464.4721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3C(=CC(=C2)[N+](=O)[O-])C=C(O3)C(C4=CC=C(C=C4)C#N)(C5=CN=CN5C)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3C(=CC(=C2)[N+](=O)[O-])C=C(O3)C(C4=CC=C(C=C4)C#N)(C5=CN=CN5C)O

InChI

InChI=1S/C27H20N4O4/c1-17-4-3-5-19(10-17)23-13-22(31(33)34)11-20-12-25(35-26(20)23)27(32,24-15-29-16-30(24)2)21-8-6-18(14-28)7-9-21/h3-13,15-16,32H,1-2H3