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

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxoisochromen-7-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C23H13ClN2O5 MolecularWeight: 432.81272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C23H13ClN2O5/c1-23(31-22(29)15-6-7-20(24)26-11-15)19(27)9-16-8-18(30-12-17(16)21(23)28)14-4-2-13(10-25)3-5-14/h2-9,11-12H,1H3