3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: 3-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-methyl-2-propenoic acid IUPAC Name: 3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-methylprop-2-enoic acid Traditional Name: 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-methyl-acrylic acid Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C)C(=O)O

InChI

InChI=1S/C16H16BrNO2/c1-10(16(19)20)8-13-9-11(2)18(12(13)3)15-6-4-14(17)5-7-15/h4-9H,1-3H3,(H,19,20)