(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CN=C3)Br)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CN=C3)Br)C(C)C

InChI

InChI=1S/C20H18BrNO4/c1-11(2)16-7-17-14(6-19(23)26-18(17)4-12(16)3)10-25-20(24)13-5-15(21)9-22-8-13/h4-9,11H,10H2,1-3H3