[5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: (5-acetoxy-3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (5-acetyloxy-3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (5-acetyloxy-3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (5-acetoxy-3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C22H20ClNO7 MolecularWeight: 445.8497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CN=C(C=C3)Cl)OC(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CN=C(C=C3)Cl)OC(=O)C

InChI

InChI=1S/C22H20ClNO7/c1-4-5-6-14-9-15-16(11-29-14)19(26)22(3,20(27)18(15)30-12(2)25)31-21(28)13-7-8-17(23)24-10-13/h7-11H,4-6H2,1-3H3