3-butyl-1,4-bis(oxidanylidene)-2H-isoquinoline-3-carbonyl chloride

Systemtic Name: 3-butyl-1,4-bis(oxidanylidene)-2H-isoquinoline-3-carbonyl chloride Openeye Name: 3-butyl-1,4-dioxo-2H-isoquinoline-3-carbonyl chloride CAS Name: 3-butyl-1,4-dioxo-2H-isoquinoline-3-carbonyl chloride IUPAC Name: 3-butyl-1,4-dioxo-2H-isoquinoline-3-carbonyl chloride Traditional Name: 3-butyl-1,4-diketo-2H-isoquinoline-3-carbonyl chloride Formula: C14H14ClNO3 MolecularWeight: 279.71886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3/c1-2-3-8-14(13(15)19)11(17)9-6-4-5-7-10(9)12(18)16-14/h4-7H,2-3,8H2,1H3,(H,16,18)