3-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,3-bis(chloranyl)phenyl]benzoic acid

Systemtic Name: 3-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,3-bis(chloranyl)phenyl]benzoic acid Openeye Name: 3-[5-(2-amino-3-hydroxy-3-oxo-propyl)-2,3-dichloro-phenyl]benzoic acid CAS Name: 3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2,3-dichlorophenyl]benzoic acid IUPAC Name: 3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2,3-dichlorophenyl]benzoic acid Traditional Name: 3-[5-(2-amino-3-hydroxy-3-keto-propyl)-2,3-dichloro-phenyl]benzoic acid Formula: C16H13Cl2NO4 MolecularWeight: 354.18472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2Cl)Cl)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2Cl)Cl)CC(C(=O)O)N

InChI

InChI=1S/C16H13Cl2NO4/c17-12-5-8(6-13(19)16(22)23)4-11(14(12)18)9-2-1-3-10(7-9)15(20)21/h1-5,7,13H,6,19H2,(H,20,21)(H,22,23)