3,6-bis(fluoranyl)-4-[(2-methylphenyl)amino]-5-phenylazanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-bis(fluoranyl)-4-[(2-methylphenyl)amino]-5-phenylazanyl-benzene-1,2-dicarbonitrile Openeye Name: 4-anilino-3,6-difluoro-5-(2-methylanilino)phthalonitrile CAS Name: 4-anilino-3,6-difluoro-5-(2-methylanilino)benzene-1,2-dicarbonitrile IUPAC Name: 4-anilino-3,6-difluoro-5-(2-methylanilino)benzene-1,2-dicarbonitrile Traditional Name: 4-anilino-3,6-difluoro-5-(o-toluidino)phthalonitrile Formula: C21H14F2N4 MolecularWeight: 360.359466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(C(=C2NC3=CC=CC=C3)F)C#N)C#N)F

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(C(=C2NC3=CC=CC=C3)F)C#N)C#N)F

InChI

InChI=1S/C21H14F2N4/c1-13-7-5-6-10-17(13)27-21-19(23)16(12-25)15(11-24)18(22)20(21)26-14-8-3-2-4-9-14/h2-10,26-27H,1H3