2-azanyl-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoic acid hydrate hydrochloride

Systemtic Name: 2-azanyl-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoic acid hydrate hydrochloride Openeye Name: 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid hydrate hydrochloride CAS Name: 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid hydrate hydrochloride IUPAC Name: 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid hydrate hydrochloride Traditional Name: 2-amino-3-(2-keto-1H-quinolin-4-yl)propionic acid hydrate hydrochloride Formula: C12H15ClN2O4 MolecularWeight: 286.7115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N.O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N.O.Cl

InChI

InChI=1S/C12H12N2O3.ClH.H2O/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);1H;1H2