2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]amino]benzoic acid Openeye Name: 2-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)anilino]benzoic acid CAS Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)anilino]benzoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)anilino]benzoic acid Traditional Name: 2-[4-(2-hydroxy-2-keto-1-methyl-ethyl)anilino]benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO4/c1-10(15(18)19)11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)16(20)21/h2-10,17H,1H3,(H,18,19)(H,20,21)