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

Systemtic Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (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-propenoate IUPAC Name: (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-acrylate Formula: C16H12BrN2O2- MolecularWeight: 344.18268

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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)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C16H13BrN2O2/c1-10-7-12(8-13(9-18)16(20)21)11(2)19(10)15-5-3-14(17)4-6-15/h3-8H,1-2H3,(H,20,21)/p-1/b13-8+