[3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [3-butyl-5-(2-furyl)-7-methyl-6,8-dioxo-isochromen-7-yl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [3-butyl-5-(2-furanyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-7-methyl-6,8-dioxoisochromen-7-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [3-butyl-5-(2-furyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C24H20ClNO6 MolecularWeight: 453.8717

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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)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CN=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C24H20ClNO6/c1-3-4-6-15-11-16-17(13-31-15)21(27)24(2,22(28)20(16)18-7-5-10-30-18)32-23(29)14-8-9-19(25)26-12-14/h5,7-13H,3-4,6H2,1-2H3