3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: 3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: 3-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]propanoic acid IUPAC Name: 3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: 3-[(1-keto-2H-isoquinoline-3-carbonyl)amino]propionic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H12N2O4/c16-11(17)5-6-14-13(19)10-7-8-3-1-2-4-9(8)12(18)15-10/h1-4,7H,5-6H2,(H,14,19)(H,15,18)(H,16,17)