[3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-isochromen-7-yl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-isochromen-7-yl] ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO6/c1-20(28-19(25)12-5-6-17(21)22-10-12)16(23)9-13-8-14(4-3-7-26-2)27-11-15(13)18(20)24/h3-6,8-11H,7H2,1-2H3/b4-3+