[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(3,4-dimethoxyphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C25H20BrNO6 MolecularWeight: 510.3334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC(=CN=C4)Br)C

InChI

InChI=1S/C25H20BrNO6/c1-13-7-18-20(8-14(13)2)32-23(15-5-6-19(30-3)21(10-15)31-4)24(22(18)28)33-25(29)16-9-17(26)12-27-11-16/h5-12H,1-4H3