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

Systemtic Name: 3-butyl-1,4-bis(oxidanylidene)-2H-isoquinoline-3-carboxylic acid Openeye Name: 3-butyl-1,4-dioxo-2H-isoquinoline-3-carboxylic acid CAS Name: 3-butyl-1,4-dioxo-2H-isoquinoline-3-carboxylic acid IUPAC Name: 3-butyl-1,4-dioxo-2H-isoquinoline-3-carboxylic acid Traditional Name: 3-butyl-1,4-diketo-2H-isoquinoline-3-carboxylic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)C2=CC=CC=C2C(=O)N1)C(=O)O

Isomeric SMILES

CCCCC1(C(=O)C2=CC=CC=C2C(=O)N1)C(=O)O

InChI

InChI=1S/C14H15NO4/c1-2-3-8-14(13(18)19)11(16)9-6-4-5-7-10(9)12(17)15-14/h4-7H,2-3,8H2,1H3,(H,15,17)(H,18,19)