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

Systemtic Name: (4-bromophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (4-bromophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (4-bromobenzyl) ester Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O2/c1-13-9-16(14(2)23(13)19-7-8-19)10-17(11-22)20(24)25-12-15-3-5-18(21)6-4-15/h3-6,9-10,19H,7-8,12H2,1-2H3/b17-10+