5-chloranyl-4-(2,5-dimethylpyrrol-1-yl)-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-(2,5-dimethylpyrrol-1-yl)-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-(2,5-dimethylpyrrol-1-yl)-2-methoxy-benzoic acid CAS Name: 5-chloro-4-(2,5-dimethyl-1-pyrrolyl)-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzoic acid Traditional Name: 5-chloro-4-(2,5-dimethylpyrrol-1-yl)-2-methoxy-benzoic acid Formula: C14H14ClNO3 MolecularWeight: 279.71886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C(C(=C2)OC)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C(C(=C2)OC)C(=O)O)Cl)C

InChI

InChI=1S/C14H14ClNO3/c1-8-4-5-9(2)16(8)12-7-13(19-3)10(14(17)18)6-11(12)15/h4-7H,1-3H3,(H,17,18)