(5-phenyl-1,2-oxazol-3-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H14N2O4/c23-19-16-9-5-4-8-14(16)10-17(21-19)20(24)25-12-15-11-18(26-22-15)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,23)