(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C19H14BrNO4 MolecularWeight: 400.22276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C19H14BrNO4/c20-15-4-13(8-21-9-15)19(23)24-10-14-7-18(22)25-17-6-12-3-1-2-11(12)5-16(14)17/h4-9H,1-3,10H2