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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dimorpholin-4-yl-5-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dimorpholino-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,4-bis(4-morpholinyl)-5-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dimorpholin-4-yl-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dimorpholino-5-nitro-phenyl)acrylonitrile Formula: C24H24N6O4 MolecularWeight: 460.48516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C24H24N6O4/c25-16-18(24-26-19-3-1-2-4-20(19)27-24)13-17-14-23(30(31)32)22(29-7-11-34-12-8-29)15-21(17)28-5-9-33-10-6-28/h1-4,13-15H,5-12H2,(H,26,27)/b18-13+