[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C21H15N3O4 MolecularWeight: 373.3615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)/C#N

InChI

InChI=1S/C21H15N3O4/c22-13-17(20(25)24-14-19-2-1-11-27-19)12-15-3-5-18(6-4-15)28-21(26)16-7-9-23-10-8-16/h1-12H,14H2,(H,24,25)/b17-12+