5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-ethoxy-benzoic acid hydrochloride

Systemtic Name: 5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-ethoxy-benzoic acid hydrochloride Openeye Name: 5-(2-amino-3-hydroxy-3-oxo-propyl)-2-ethoxy-benzoic acid hydrochloride CAS Name: 5-(2-amino-3-hydroxy-3-oxopropyl)-2-ethoxybenzoic acid hydrochloride IUPAC Name: 5-(2-amino-3-hydroxy-3-oxopropyl)-2-ethoxybenzoic acid hydrochloride Traditional Name: 5-(2-amino-3-hydroxy-3-keto-propyl)-2-ethoxy-benzoic acid hydrochloride Formula: C12H16ClNO5 MolecularWeight: 289.71214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O.Cl

InChI

InChI=1S/C12H15NO5.ClH/c1-2-18-10-4-3-7(5-8(10)11(14)15)6-9(13)12(16)17;/h3-5,9H,2,6,13H2,1H3,(H,14,15)(H,16,17);1H