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

Systemtic Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-[4-(4-morpholinyl)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)acrylonitrile Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H19N5O4/c1-29-16-3-4-17-18(12-16)24-21(23-17)15(13-22)10-14-2-5-19(20(11-14)26(27)28)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,24)/b15-10+