4-(2,5-dimethylpyrrol-1-yl)-3-oxidanyl-benzoate

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-3-oxidanyl-benzoate Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-3-hydroxy-benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-3-hydroxybenzoate IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-3-hydroxybenzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-3-hydroxy-benzoate Formula: C13H12NO3- MolecularWeight: 230.23928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)[O-])O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)[O-])O)C

InChI

InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)11-6-5-10(13(16)17)7-12(11)15/h3-7,15H,1-2H3,(H,16,17)/p-1