2-azanyl-3-(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoic acid hydrate

Systemtic Name: 2-azanyl-3-(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoic acid hydrate Openeye Name: 2-amino-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid hydrate CAS Name: 2-amino-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid hydrate IUPAC Name: 2-amino-3-(4-methyl-2-oxo-1H-quinolin-6-yl)propanoic acid hydrate Traditional Name: 2-amino-3-(2-keto-4-methyl-1H-quinolin-6-yl)propionic acid hydrate Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC2=C1C=C(C=C2)CC(C(=O)O)N.O

Isomeric SMILES

CC1=CC(=O)NC2=C1C=C(C=C2)CC(C(=O)O)N.O

InChI

InChI=1S/C13H14N2O3.H2O/c1-7-4-12(16)15-11-3-2-8(5-9(7)11)6-10(14)13(17)18;/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18);1H2