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

Systemtic Name: 4-[(S)-azanyl-[7-(3-methoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(S)-amino-[7-(3-methoxyphenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[(S)-amino-[7-(3-methoxyphenyl)-5-nitro-2-benzofuranyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[(S)-amino-[7-(3-methoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[(S)-amino-[7-(3-methoxyphenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H21N5O4 MolecularWeight: 479.48674

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

Isomeric SMILES

CN1C=NC=C1[C@@](C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC(=CC=C5)OC)[N+](=O)[O-])N

InChI

InChI=1S/C27H21N5O4/c1-31-16-30-15-24(31)27(29,20-8-6-17(14-28)7-9-20)25-12-19-10-21(32(33)34)13-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16H,29H2,1-2H3/t27-/m0/s1