4-[2-(4-methoxy-2-phenylmethoxy-phenyl)-3-nitro-phenyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methoxy-2-phenylmethoxy-phenyl)-3-nitro-phenyl]benzenecarbonitrile Openeye Name: 4-[2-(2-benzyloxy-4-methoxy-phenyl)-3-nitro-phenyl]benzonitrile CAS Name: 4-[2-(4-methoxy-2-phenylmethoxyphenyl)-3-nitrophenyl]benzonitrile IUPAC Name: 4-[2-(4-methoxy-2-phenylmethoxyphenyl)-3-nitrophenyl]benzonitrile Traditional Name: 4-[2-(2-benzoxy-4-methoxy-phenyl)-3-nitro-phenyl]benzonitrile Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C27H20N2O4/c1-32-22-14-15-24(26(16-22)33-18-20-6-3-2-4-7-20)27-23(8-5-9-25(27)29(30)31)21-12-10-19(17-28)11-13-21/h2-16H,18H2,1H3