4,6-diisocyano-2,5-bis[(E)-2-[4-[(4-methoxynaphthalen-1-yl)-(4-methoxyphenyl)amino]phenyl]ethenyl]benzene-1,3-dicarbonitrile

Systemtic Name: 4,6-diisocyano-2,5-bis[(E)-2-[4-[(4-methoxynaphthalen-1-yl)-(4-methoxyphenyl)amino]phenyl]ethenyl]benzene-1,3-dicarbonitrile Openeye Name: 4,6-diisocyano-2,5-bis[(E)-2-[4-(4-methoxy-N-(4-methoxy-1-naphthyl)anilino)phenyl]vinyl]benzene-1,3-dicarbonitrile CAS Name: 4,6-diisocyano-2,5-bis[(E)-2-[4-(4-methoxy-N-(4-methoxy-1-naphthalenyl)anilino)phenyl]ethenyl]benzene-1,3-dicarbonitrile IUPAC Name: 4,6-diisocyano-2,5-bis[(E)-2-[4-(4-methoxy-N-(4-methoxynaphthalen-1-yl)anilino)phenyl]ethenyl]benzene-1,3-dicarbonitrile Traditional Name: 4,6-diisocyano-2,5-bis[(E)-2-[4-(4-methoxy-N-(4-methoxy-1-naphthyl)anilino)phenyl]vinyl]isophthalonitrile Formula: C62H44N6O4 MolecularWeight: 937.05056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=CC3=C(C(=C(C(=C3C#N)[N+]#[C-])C=CC4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=C(C7=CC=CC=C76)OC)[N+]#[C-])C#N)C8=CC=C(C9=CC=CC=C98)OC

Isomeric SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=C(C(=C(C(=C3C#N)[N+]#[C-])/C=C/C4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=C(C7=CC=CC=C76)OC)[N+]#[C-])C#N)C8=CC=C(C9=CC=CC=C98)OC

InChI

InChI=1S/C62H44N6O4/c1-65-61-54(34-20-42-17-23-44(24-18-42)68(46-27-31-48(70-4)32-28-46)58-36-38-60(72-6)53-14-10-8-12-51(53)58)62(66-2)56(40-64)49(55(61)39-63)33-19-41-15-21-43(22-16-41)67(45-25-29-47(69-3)30-26-45)57-35-37-59(71-5)52-13-9-7-11-50(52)57/h7-38H,3-6H3/b33-19+,34-20+