4-(2-azanyl-2-oxidanylidene-ethyl)-6-bromanyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-6-bromanyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-6-bromo-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-6-bromo-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-6-bromo-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-6-bromo-1,3-diketo-isoquinoline-4-carboxylic acid Formula: C12H9BrN2O5 MolecularWeight: 341.11426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(C(=O)NC2=O)(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(C(=O)NC2=O)(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H9BrN2O5/c13-5-1-2-6-7(3-5)12(11(19)20,4-8(14)16)10(18)15-9(6)17/h1-3H,4H2,(H2,14,16)(H,19,20)(H,15,17,18)