2-[3-[(E)-3-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(E)-3-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[3-[(E)-3-(2-hydroxy-1-methyl-4-oxo-3-quinolyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[3-[(E)-3-(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[3-[(E)-3-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[3-[(E)-3-(2-hydroxy-4-keto-1-methyl-3-quinolyl)-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C=CC3=CC(=CC=C3)OCC#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)/C=C/C3=CC(=CC=C3)OCC#N

InChI

InChI=1S/C21H16N2O4/c1-23-17-8-3-2-7-16(17)20(25)19(21(23)26)18(24)10-9-14-5-4-6-15(13-14)27-12-11-22/h2-10,13,26H,12H2,1H3/b10-9+