4-(3-methoxy-4-methyl-phenyl)carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-methoxy-4-methyl-phenyl)carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-methoxy-4-methyl-benzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-methoxy-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3-methoxy-4-methyl-benzoyl)-1H-pyrrole-2-carboxylic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O)OC

InChI

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