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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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