4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-2-methyl-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-2-methyl-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-15-10(17)7-4-2-3-5-8(7)13(11(15)18,12(19)20)6-9(14)16/h2-5H,6H2,1H3,(H2,14,16)(H,19,20)