1-(4-bromanyl-2-methyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(4-bromo-2-methyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(4-bromo-2-methylphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-bromo-2-methylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(4-bromo-2-methyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H14BrNO2 MolecularWeight: 308.17046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO2/c1-8-6-11(15)4-5-13(8)16-9(2)7-12(10(16)3)14(17)18/h4-7H,1-3H3,(H,17,18)