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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-isoquinoline-4-carboxylic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5/c13-8(15)5-12(11(18)19)7-4-2-1-3-6(7)9(16)14-10(12)17/h1-4H,5H2,(H2,13,15)(H,18,19)(H,14,16,17)