5-(2-methylpyrrol-1-yl)-2-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]benzoic acid

Systemtic Name: 5-(2-methylpyrrol-1-yl)-2-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]benzoic acid Openeye Name: 2-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]-5-(2-methylpyrrol-1-yl)benzoic acid CAS Name: 2-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-5-(2-methyl-1-pyrrolyl)benzoic acid IUPAC Name: 2-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-5-(2-methylpyrrol-1-yl)benzoic acid Traditional Name: 2-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]-5-(2-methylpyrrol-1-yl)benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN1C2=CC(=C(C=C2)C3=CC=C(C=C3)C=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CN1C2=CC(=C(C=C2)C3=CC=C(C=C3)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C21H17NO4/c1-14-3-2-12-22(14)17-9-10-18(19(13-17)21(25)26)16-7-4-15(5-8-16)6-11-20(23)24/h2-13H,1H3,(H,23,24)(H,25,26)/b11-6+