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

Systemtic Name: 3-[2-[(4-cyanophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]-5-nitro-1-benzofuran-7-yl]benzenecarbonitrile Openeye Name: 3-[2-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile CAS Name: 3-[2-[(4-cyanophenyl)-hydroxy-(3-methyl-4-imidazolyl)methyl]-5-nitro-7-benzofuranyl]benzonitrile IUPAC Name: 3-[2-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-5-nitro-1-benzofuran-7-yl]benzonitrile Traditional Name: 3-[2-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile Formula: C27H17N5O4 MolecularWeight: 475.45498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC=CC(=C5)C#N)[N+](=O)[O-])O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC=CC(=C5)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-7-5-17(13-28)6-8-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-4-2-3-18(9-19)14-29/h2-12,15-16,33H,1H3