(E)-2-cyano-N-(3,4-dimethylphenyl)-3-(2-morpholin-4-yl-5-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(2-morpholin-4-yl-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(2-morpholino-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-[2-(4-morpholinyl)-5-nitrophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(2-morpholino-5-nitro-phenyl)acrylamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)/C#N)C

InChI

InChI=1S/C22H22N4O4/c1-15-3-4-19(11-16(15)2)24-22(27)18(14-23)12-17-13-20(26(28)29)5-6-21(17)25-7-9-30-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,24,27)/b18-12+