[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19FN2O4 MolecularWeight: 382.384963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2F)OC)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2F)OC)/C#N

InChI

InChI=1S/C21H19FN2O4/c1-13(2)24-20(25)15(12-23)10-14-8-9-18(19(11-14)27-3)28-21(26)16-6-4-5-7-17(16)22/h4-11,13H,1-3H3,(H,24,25)/b15-10+