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

Systemtic Name: 4-[azanyl-[7-(3-ethoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[7-(3-ethoxyphenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[7-(3-ethoxyphenyl)-5-nitro-2-benzofuranyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[7-(3-ethoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-(3-methylimidazol-4-yl)-(7-m-phenetyl-5-nitro-benzofuran-2-yl)methyl]benzonitrile Formula: C28H23N5O4 MolecularWeight: 493.51332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C28H23N5O4/c1-3-36-23-6-4-5-19(12-23)24-14-22(33(34)35)11-20-13-26(37-27(20)24)28(30,25-16-31-17-32(25)2)21-9-7-18(15-29)8-10-21/h4-14,16-17H,3,30H2,1-2H3