2-(2-azanyl-3-oxidanyl-propanoyl)-1,4-bis(oxidanylidene)-3H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-azanyl-3-oxidanyl-propanoyl)-1,4-bis(oxidanylidene)-3H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-amino-3-hydroxy-propanoyl)-1,4-dioxo-3H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-amino-3-hydroxy-1-oxopropyl)-1,4-dioxo-3H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-amino-3-hydroxypropanoyl)-1,4-dioxo-3H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-amino-3-hydroxy-propanoyl)-1,4-diketo-3H-isoquinoline-3-carboxylic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6/c14-8(5-16)12(19)15-9(13(20)21)10(17)6-3-1-2-4-7(6)11(15)18/h1-4,8-9,16H,5,14H2,(H,20,21)