(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(4-morpholinyl)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)acrylonitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H21N5O3/c1-14-9-18-19(10-15(14)2)25-22(24-18)17(13-23)11-16-3-4-20(21(12-16)27(28)29)26-5-7-30-8-6-26/h3-4,9-12H,5-8H2,1-2H3,(H,24,25)/b17-11+