2-[3-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-1-pyridin-2-yl-pyridin-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-1-pyridin-2-yl-pyridin-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[3-[(E)-3-[2-hydroxy-6-methyl-4-oxo-1-(2-pyridyl)-3-pyridyl]-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[3-[(E)-3-[2-hydroxy-6-methyl-4-oxo-1-(2-pyridinyl)-3-pyridinyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1-pyridin-2-ylpyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[3-[(E)-3-[2-hydroxy-4-keto-6-methyl-1-(2-pyridyl)-3-pyridyl]-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1C2=CC=CC=N2)O)C(=O)C=CC3=CC(=CC=C3)OCC#N

Isomeric SMILES

CC1=CC(=O)C(=C(N1C2=CC=CC=N2)O)C(=O)/C=C/C3=CC(=CC=C3)OCC#N

InChI

InChI=1S/C22H17N3O4/c1-15-13-19(27)21(22(28)25(15)20-7-2-3-11-24-20)18(26)9-8-16-5-4-6-17(14-16)29-12-10-23/h2-9,11,13-14,28H,12H2,1H3/b9-8+