(E)-3-(2-morpholin-4-yl-5-nitro-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2-morpholin-4-yl-5-nitro-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(2-morpholino-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[2-(4-morpholinyl)-5-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(2-morpholino-5-nitro-phenyl)acrylonitrile Formula: C20H17N3O4 MolecularWeight: 363.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c21-14-17(20(24)15-4-2-1-3-5-15)12-16-13-18(23(25)26)6-7-19(16)22-8-10-27-11-9-22/h1-7,12-13H,8-11H2/b17-12+