[4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-13(2)26-20(24)16(12-21)10-14-4-5-17(18(11-14)25-3)27-19(23)15-6-8-22-9-7-15/h4-11,13H,1-3H3/b16-10+