3-(5-methanoyl-2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid

Systemtic Name: 3-(5-methanoyl-2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid Openeye Name: 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid CAS Name: 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid IUPAC Name: 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid Traditional Name: 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=CC(=CC=C2)C(=O)O)C)C=O

Isomeric SMILES

CC1=C(NC(=C1C2=CC(=CC=C2)C(=O)O)C)C=O

InChI

InChI=1S/C14H13NO3/c1-8-12(7-16)15-9(2)13(8)10-4-3-5-11(6-10)14(17)18/h3-7,15H,1-2H3,(H,17,18)