methyl 3-azanyl-2,4-dicyano-5,6-bis(4-fluorophenyl)benzoate

Systemtic Name: methyl 3-azanyl-2,4-dicyano-5,6-bis(4-fluorophenyl)benzoate Openeye Name: methyl 3-amino-2,4-dicyano-5,6-bis(4-fluorophenyl)benzoate CAS Name: 3-amino-2,4-dicyano-5,6-bis(4-fluorophenyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-2,4-dicyano-5,6-bis(4-fluorophenyl)benzoate Traditional Name: 3-amino-2,4-dicyano-5,6-bis(4-fluorophenyl)benzoic acid methyl ester Formula: C22H13F2N3O2 MolecularWeight: 389.354326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1C#N)N)C#N)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1C#N)N)C#N)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H13F2N3O2/c1-29-22(28)20-17(11-26)21(27)16(10-25)18(12-2-6-14(23)7-3-12)19(20)13-4-8-15(24)9-5-13/h2-9H,27H2,1H3