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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C13H12N2O4/c1-7(13(18)19)14-12(17)10-6-8-4-2-3-5-9(8)11(16)15-10/h2-7H,1H3,(H,14,17)(H,15,16)(H,18,19)