[3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-isochromen-7-yl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisochromen-7-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-isochromen-7-yl] ester Formula: C21H18ClNO7 MolecularWeight: 431.82312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)CCCC(=O)OC)OC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)CCCC(=O)OC)OC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO7/c1-21(30-20(27)12-6-7-17(22)23-10-12)16(24)9-13-8-14(4-3-5-18(25)28-2)29-11-15(13)19(21)26/h6-11H,3-5H2,1-2H3