5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)isophthalic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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