4-isocyano-2,5-bis[(E)-2-[4-[(3-methylphenyl)-phenyl-amino]phenyl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-isocyano-2,5-bis[(E)-2-[4-[(3-methylphenyl)-phenyl-amino]phenyl]ethenyl]benzenecarbonitrile Openeye Name: 4-isocyano-2,5-bis[(E)-2-[4-[N-(m-tolyl)anilino]phenyl]vinyl]benzonitrile CAS Name: 4-isocyano-2,5-bis[(E)-2-[4-(N-(3-methylphenyl)anilino)phenyl]ethenyl]benzonitrile IUPAC Name: 4-isocyano-2,5-bis[(E)-2-[4-(N-(3-methylphenyl)anilino)phenyl]ethenyl]benzonitrile Traditional Name: 4-isocyano-2,5-bis[(E)-2-[4-[N-(m-tolyl)anilino]phenyl]vinyl]benzonitrile Formula: C50H38N4 MolecularWeight: 694.86352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=CC(=C(C=C4C#N)C=CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C4=CC(=C(C=C4C#N)/C=C/C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C)[N+]#[C-]

InChI

InChI=1S/C50H38N4/c1-37-12-10-18-48(32-37)53(44-14-6-4-7-15-44)46-28-22-39(23-29-46)20-26-41-35-50(52-3)42(34-43(41)36-51)27-21-40-24-30-47(31-25-40)54(45-16-8-5-9-17-45)49-19-11-13-38(2)33-49/h4-35H,1-2H3/b26-20+,27-21+