(E)-1-(2-bromophenyl)-3-(1-tert-butylpyrrol-2-yl)prop-2-en-1-one; pyrrole-1-carboxylic acid

Systemtic Name: (E)-1-(2-bromophenyl)-3-(1-tert-butylpyrrol-2-yl)prop-2-en-1-one; pyrrole-1-carboxylic acid Openeye Name: (E)-1-(2-bromophenyl)-3-(1-tert-butylpyrrol-2-yl)prop-2-en-1-one; pyrrole-1-carboxylic acid CAS Name: (E)-1-(2-bromophenyl)-3-(1-tert-butyl-2-pyrrolyl)-2-propen-1-one; 1-pyrrolecarboxylic acid IUPAC Name: (E)-1-(2-bromophenyl)-3-(1-tert-butylpyrrol-2-yl)prop-2-en-1-one; pyrrole-1-carboxylic acid Traditional Name: (E)-1-(2-bromophenyl)-3-(1-tert-butylpyrrol-2-yl)prop-2-en-1-one; pyrrole-1-carboxylic acid Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=C1C=CC(=O)C2=CC=CC=C2Br.C1=CN(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=CC=C1/C=C/C(=O)C2=CC=CC=C2Br.C1=CN(C=C1)C(=O)O

InChI

InChI=1S/C17H18BrNO.C5H5NO2/c1-17(2,3)19-12-6-7-13(19)10-11-16(20)14-8-4-5-9-15(14)18;7-5(8)6-3-1-2-4-6/h4-12H,1-3H3;1-4H,(H,7,8)/b11-10+;