2-[methyl-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-15(7-11(16)17)13(19)10-6-8-4-2-3-5-9(8)12(18)14-10/h2-6H,7H2,1H3,(H,14,18)(H,16,17)