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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-6-bromanyl-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-6-bromo-2-methyl-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-6-bromo-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-6-bromo-2-methyl-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-6-bromo-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid Formula: C13H11BrN2O5 MolecularWeight: 355.14084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O5/c1-16-10(18)7-3-2-6(14)4-8(7)13(11(16)19,12(20)21)5-9(15)17/h2-4H,5H2,1H3,(H2,15,17)(H,20,21)