tert-butyl 2-[6-chloranyl-2-methyl-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-chloranyl-2-methyl-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoate Openeye Name: tert-butyl 2-(6-chloro-2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetate CAS Name: 2-(6-chloro-2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloro-2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetate Traditional Name: 2-(6-chloro-1,3-diketo-2-methyl-4H-isoquinolin-4-yl)acetic acid tert-butyl ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)(C)OC(=O)CC1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C16H18ClNO4/c1-16(2,3)22-13(19)8-12-11-7-9(17)5-6-10(11)14(20)18(4)15(12)21/h5-7,12H,8H2,1-4H3