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

Systemtic Name: 2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]acetic acid IUPAC Name: 2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-keto-2H-isoquinoline-3-carbonyl)amino]acetic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c15-10(16)6-13-12(18)9-5-7-3-1-2-4-8(7)11(17)14-9/h1-5H,6H2,(H,13,18)(H,14,17)(H,15,16)