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

Systemtic Name: 4-[azanyl-[7-(3-chlorophenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[7-(3-chlorophenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[7-(3-chlorophenyl)-5-nitro-2-benzofuranyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[7-(3-chlorophenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[7-(3-chlorophenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C26H18ClN5O3 MolecularWeight: 483.90582

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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)Cl)[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)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C26H18ClN5O3/c1-31-15-30-14-23(31)26(29,19-7-5-16(13-28)6-8-19)24-11-18-10-21(32(33)34)12-22(25(18)35-24)17-3-2-4-20(27)9-17/h2-12,14-15H,29H2,1H3