[3-butyl-7-methyl-6,8-bis(oxidanylidene)-5H-isoquinolin-7-yl] ethanoate

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)-5H-isoquinolin-7-yl] ethanoate Openeye Name: (3-butyl-7-methyl-6,8-dioxo-5H-isoquinolin-7-yl) acetate CAS Name: acetic acid (3-butyl-7-methyl-6,8-dioxo-5H-isoquinolin-7-yl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxo-5H-isoquinolin-7-yl) acetate Traditional Name: acetic acid (3-butyl-6,8-diketo-7-methyl-5H-isoquinolin-7-yl) ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C2C(=C1)CC(=O)C(C2=O)(C)OC(=O)C

Isomeric SMILES

CCCCC1=NC=C2C(=C1)CC(=O)C(C2=O)(C)OC(=O)C

InChI

InChI=1S/C16H19NO4/c1-4-5-6-12-7-11-8-14(19)16(3,21-10(2)18)15(20)13(11)9-17-12/h7,9H,4-6,8H2,1-3H3