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

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (2-butoxy-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 (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) (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-butoxy-2-keto-ethyl) ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C)C#N

Isomeric SMILES

CCCCOC(=O)COC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C)/C#N

InChI

InChI=1S/C22H23BrN2O4/c1-4-5-10-28-21(26)14-29-22(27)18(13-24)12-17-11-15(2)25(16(17)3)20-8-6-19(23)7-9-20/h6-9,11-12H,4-5,10,14H2,1-3H3/b18-12+