[4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-[(1R)-2-methoxy-1-methyl-ethoxy]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-[(1R)-2-methoxy-1-methyl-ethoxy]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=NC=C2)OC)C#N

Isomeric SMILES

C[C@H](COC)OC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=NC=C2)OC)/C#N

InChI

InChI=1S/C21H20N2O6/c1-14(13-26-2)28-21(25)17(12-22)10-15-4-5-18(19(11-15)27-3)29-20(24)16-6-8-23-9-7-16/h4-11,14H,13H2,1-3H3/b17-10+/t14-/m1/s1