4-azanyl-3-oxidanylidene-2,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 4-azanyl-3-oxidanylidene-2,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 4-amino-3-oxo-2,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 4-amino-3-oxo-2,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 4-amino-3-oxo-2,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 4-amino-3-keto-2,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C10H10N2O3 MolecularWeight: 206.198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(NC(=O)C(C2=C1)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(NC(=O)C(C2=C1)N)C(=O)O

InChI

InChI=1S/C10H10N2O3/c11-7-5-3-1-2-4-6(5)8(10(14)15)12-9(7)13/h1-4,7-8H,11H2,(H,12,13)(H,14,15)