5-bromanyl-1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylic acid

Systemtic Name: 5-bromanyl-1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylic acid Openeye Name: 5-bromo-1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylic acid CAS Name: 5-bromo-1-[(4-methoxyphenyl)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 5-bromo-1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylic acid Traditional Name: 5-bromo-1-p-anisyl-pyrrole-2-carboxylic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC=C2Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC=C2Br)C(=O)O

InChI

InChI=1S/C13H12BrNO3/c1-18-10-4-2-9(3-5-10)8-15-11(13(16)17)6-7-12(15)14/h2-7H,8H2,1H3,(H,16,17)