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

Systemtic Name: 3-ethyl-1,4-bis(oxidanylidene)-2H-isoquinoline-3-carboxylic acid Openeye Name: 3-ethyl-1,4-dioxo-2H-isoquinoline-3-carboxylic acid CAS Name: 3-ethyl-1,4-dioxo-2H-isoquinoline-3-carboxylic acid IUPAC Name: 3-ethyl-1,4-dioxo-2H-isoquinoline-3-carboxylic acid Traditional Name: 3-ethyl-1,4-diketo-2H-isoquinoline-3-carboxylic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C2=CC=CC=C2C(=O)N1)C(=O)O

Isomeric SMILES

CCC1(C(=O)C2=CC=CC=C2C(=O)N1)C(=O)O

InChI

InChI=1S/C12H11NO4/c1-2-12(11(16)17)9(14)7-5-3-4-6-8(7)10(15)13-12/h3-6H,2H2,1H3,(H,13,15)(H,16,17)