(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C23H24BrN3O4 MolecularWeight: 486.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C#N)C(=O)OC(C)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C(\C#N)/C(=O)OC(C)C(=O)N3CCOCC3

InChI

InChI=1S/C23H24BrN3O4/c1-15-12-18(16(2)27(15)21-6-4-20(24)5-7-21)13-19(14-25)23(29)31-17(3)22(28)26-8-10-30-11-9-26/h4-7,12-13,17H,8-11H2,1-3H3/b19-13+