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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: (3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO5/c1-3-4-5-14-8-13-9-16(23)20(2,18(24)15(13)11-26-14)27-19(25)12-6-7-17(21)22-10-12/h6-11H,3-5H2,1-2H3