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

Systemtic Name: 3-[2-[azanyl-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-5-nitro-1-benzofuran-7-yl]benzenecarbonitrile Openeye Name: 3-[2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile CAS Name: 3-[2-[amino-(4-cyanophenyl)-(3-methyl-4-imidazolyl)methyl]-5-nitro-7-benzofuranyl]benzonitrile IUPAC Name: 3-[2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-5-nitro-1-benzofuran-7-yl]benzonitrile Traditional Name: 3-[2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile Formula: C27H18N6O3 MolecularWeight: 474.47022

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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-])N

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-])N

InChI

InChI=1S/C27H18N6O3/c1-32-16-31-15-24(32)27(30,21-7-5-17(13-28)6-8-21)25-11-20-10-22(33(34)35)12-23(26(20)36-25)19-4-2-3-18(9-19)14-29/h2-12,15-16H,30H2,1H3