4-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C15H14ClNO3 MolecularWeight: 291.72956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO3/c1-9-7-13(14(18)8-16)10(2)17(9)12-5-3-11(4-6-12)15(19)20/h3-7H,8H2,1-2H3,(H,19,20)