4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)amino]benzenecarbonitrile Openeye Name: 4-[4-benzyloxy-N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-5-methoxy-2-nitro-anilino]benzonitrile CAS Name: 4-[N-[2-(1,3-dioxo-2-isoindolyl)ethyl]-5-methoxy-2-nitro-4-phenylmethoxyanilino]benzonitrile IUPAC Name: 4-[N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-methoxy-2-nitro-4-phenylmethoxyanilino]benzonitrile Traditional Name: 4-[4-benzoxy-5-methoxy-2-nitro-N-(2-phthalimidoethyl)anilino]benzonitrile Formula: C31H24N4O6 MolecularWeight: 548.54546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C#N)[N+](=O)[O-])OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C(=C1)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C#N)[N+](=O)[O-])OCC5=CC=CC=C5

InChI

InChI=1S/C31H24N4O6/c1-40-28-17-26(27(35(38)39)18-29(28)41-20-22-7-3-2-4-8-22)33(23-13-11-21(19-32)12-14-23)15-16-34-30(36)24-9-5-6-10-25(24)31(34)37/h2-14,17-18H,15-16,20H2,1H3