(5-phenyl-1,2-oxazol-3-yl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O5/c24-19-10-15-8-4-5-9-17(15)21(26)23(19)12-20(25)27-13-16-11-18(28-22-16)14-6-2-1-3-7-14/h1-9,11H,10,12-13H2