[6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-methylbutanoate

Systemtic Name: [6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-methylbutanoate Openeye Name: (6-chloro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid (6-chloro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (6-chloro-1,3-diketo-benzo[de]isoquinolin-2-yl) ester Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)ON1C(=O)C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O

Isomeric SMILES

CC(C)CC(=O)ON1C(=O)C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O

InChI

InChI=1S/C17H14ClNO4/c1-9(2)8-14(20)23-19-16(21)11-5-3-4-10-13(18)7-6-12(15(10)11)17(19)22/h3-7,9H,8H2,1-2H3