1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-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=CC3=C(C=C2)OCO3)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)O

InChI

InChI=1S/C14H13NO4/c1-8-5-11(14(16)17)9(2)15(8)10-3-4-12-13(6-10)19-7-18-12/h3-6H,7H2,1-2H3,(H,16,17)