methyl 4-[3-azanyl-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoate

Systemtic Name: methyl 4-[3-azanyl-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoate Openeye Name: methyl 4-[3-amino-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoate CAS Name: 4-[3-amino-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-amino-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoate Traditional Name: 4-[3-amino-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoic acid methyl ester Formula: C22H14FN3O2 MolecularWeight: 371.363863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H14FN3O2/c1-28-22(27)15-4-2-13(3-5-15)17-10-18(14-6-8-16(23)9-7-14)20(12-25)21(26)19(17)11-24/h2-10H,26H2,1H3