(3-cyano-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-6-yl) ethanoate

Systemtic Name: (3-cyano-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-6-yl) ethanoate Openeye Name: (3-cyano-2-methyl-1-oxo-4-phenyl-6-isoquinolyl) acetate CAS Name: acetic acid (3-cyano-2-methyl-1-oxo-4-phenyl-6-isoquinolinyl) ester IUPAC Name: (3-cyano-2-methyl-1-oxo-4-phenylisoquinolin-6-yl) acetate Traditional Name: acetic acid (3-cyano-1-keto-2-methyl-4-phenyl-6-isoquinolyl) ester Formula: C19H14N2O3 MolecularWeight: 318.32606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H14N2O3/c1-12(22)24-14-8-9-15-16(10-14)18(13-6-4-3-5-7-13)17(11-20)21(2)19(15)23/h3-10H,1-2H3