4-isocyano-2,5-bis[(E)-2-[4-[(4-methoxyphenyl)-naphthalen-1-yl-amino]phenyl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-isocyano-2,5-bis[(E)-2-[4-[(4-methoxyphenyl)-naphthalen-1-yl-amino]phenyl]ethenyl]benzenecarbonitrile Openeye Name: 4-isocyano-2,5-bis[(E)-2-[4-[4-methoxy-N-(1-naphthyl)anilino]phenyl]vinyl]benzonitrile CAS Name: 4-isocyano-2,5-bis[(E)-2-[4-[4-methoxy-N-(1-naphthalenyl)anilino]phenyl]ethenyl]benzonitrile IUPAC Name: 4-isocyano-2,5-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]benzonitrile Traditional Name: 4-isocyano-2,5-bis[(E)-2-[4-[4-methoxy-N-(1-naphthyl)anilino]phenyl]vinyl]benzonitrile Formula: C58H42N4O2 MolecularWeight: 826.97968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=CC3=CC(=C(C=C3C#N)C=CC4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=CC7=CC=CC=C76)[N+]#[C-])C8=CC=CC9=CC=CC=C98

Isomeric SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC(=C(C=C3C#N)/C=C/C4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=CC7=CC=CC=C76)[N+]#[C-])C8=CC=CC9=CC=CC=C98

InChI

InChI=1S/C58H42N4O2/c1-60-56-39-45(24-18-41-20-26-48(27-21-41)61(50-30-34-52(63-2)35-31-50)57-16-8-12-43-10-4-6-14-54(43)57)47(40-59)38-46(56)25-19-42-22-28-49(29-23-42)62(51-32-36-53(64-3)37-33-51)58-17-9-13-44-11-5-7-15-55(44)58/h4-39H,2-3H3/b24-18+,25-19+