1-(4-carboxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-carboxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(4-carboxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(4-carboxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(4-carboxyphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4/c1-8-7-12(14(18)19)9(2)15(8)11-5-3-10(4-6-11)13(16)17/h3-7H,1-2H3,(H,16,17)(H,18,19)