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

Systemtic Name: 4-[azanyl-(3-methylimidazol-4-yl)-[7-(3-methylphenyl)-5-nitro-1-benzofuran-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[amino-(3-methylimidazol-4-yl)-[7-(m-tolyl)-5-nitro-benzofuran-2-yl]methyl]benzonitrile CAS Name: 4-[amino-(3-methyl-4-imidazolyl)-[7-(3-methylphenyl)-5-nitro-2-benzofuranyl]methyl]benzonitrile IUPAC Name: 4-[amino-(3-methylimidazol-4-yl)-[7-(3-methylphenyl)-5-nitro-1-benzofuran-2-yl]methyl]benzonitrile Traditional Name: 4-[amino-(3-methylimidazol-4-yl)-[7-(m-tolyl)-5-nitro-benzofuran-2-yl]methyl]benzonitrile Formula: C27H21N5O3 MolecularWeight: 463.48734

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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)N

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)N

InChI

InChI=1S/C27H21N5O3/c1-17-4-3-5-19(10-17)23-13-22(32(33)34)11-20-12-25(35-26(20)23)27(29,24-15-30-16-31(24)2)21-8-6-18(14-28)7-9-21/h3-13,15-16H,29H2,1-2H3