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

Systemtic Name: (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)prop-2-enenitrile CAS Name: (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[4-(4-morpholinyl)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)acrylonitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H19N5O3/c1-14-2-4-17-18(10-14)24-21(23-17)16(13-22)11-15-3-5-19(20(12-15)26(27)28)25-6-8-29-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,24)/b16-11-