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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-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-keto-2-methoxy-ethyl) ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O4/c1-12-8-14(9-15(10-21)19(24)26-11-18(23)25-3)13(2)22(12)17-6-4-16(20)5-7-17/h4-9H,11H2,1-3H3/b15-9+