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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C4=CC=C(C=C4)C=CC5=CC(=C(C=C5C#N)C=CC6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C9=CC=CC=C98)OC)[N+]#[C-]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C4=CC=C(C=C4)/C=C/C5=CC(=C(C=C5C#N)/C=C/C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C9=CC=CC=C98)OC)[N+]#[C-]

InChI

InChI=1S/C58H42N4O2/c1-60-54-39-43(28-22-41-24-30-48(31-25-41)61(46-14-6-4-7-15-46)55-34-36-57(63-2)52-20-12-10-18-50(52)55)45(40-59)38-44(54)29-23-42-26-32-49(33-27-42)62(47-16-8-5-9-17-47)56-35-37-58(64-3)53-21-13-11-19-51(53)56/h4-39H,2-3H3/b28-22+,29-23+