[3-(4-bromanyl-2,6-dimethyl-phenyl)-5-methyl-2-oxidanylidene-6-pyridin-2-yl-pyran-4-yl] ethanoate

Systemtic Name: [3-(4-bromanyl-2,6-dimethyl-phenyl)-5-methyl-2-oxidanylidene-6-pyridin-2-yl-pyran-4-yl] ethanoate Openeye Name: [3-(4-bromo-2,6-dimethyl-phenyl)-5-methyl-2-oxo-6-(2-pyridyl)pyran-4-yl] acetate CAS Name: acetic acid [3-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-oxo-6-(2-pyridinyl)-4-pyranyl] ester IUPAC Name: [3-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-oxo-6-pyridin-2-ylpyran-4-yl] acetate Traditional Name: acetic acid [3-(4-bromo-2,6-dimethyl-phenyl)-2-keto-5-methyl-6-(2-pyridyl)pyran-4-yl] ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C(=C(OC2=O)C3=CC=CC=N3)C)OC(=O)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C(=C(OC2=O)C3=CC=CC=N3)C)OC(=O)C)C)Br

InChI

InChI=1S/C21H18BrNO4/c1-11-9-15(22)10-12(2)17(11)18-20(26-14(4)24)13(3)19(27-21(18)25)16-7-5-6-8-23-16/h5-10H,1-4H3