2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]benzoic acid

Systemtic Name: 2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]benzoic acid Openeye Name: 2-[4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]benzoic acid CAS Name: 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]benzoic acid IUPAC Name: 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]benzoic acid Traditional Name: 2-[4-(2-amino-3-hydroxy-3-keto-propyl)phenyl]benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C16H15NO4/c17-14(16(20)21)9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15(18)19/h1-8,14H,9,17H2,(H,18,19)(H,20,21)