[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)COC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

CN1C=CC=C1C(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H14BrNO3/c1-18-9-3-6-14(18)15(19)11-21-16(20)8-7-12-4-2-5-13(17)10-12/h2-10H,11H2,1H3/b8-7+