2-[(4-cyanophenyl)amino]-2-(3-methoxy-5-nitro-4-phenylmethoxy-phenyl)ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-methoxy-5-nitro-4-phenylmethoxy-phenyl)ethanoate Openeye Name: 2-(4-benzyloxy-3-methoxy-5-nitro-phenyl)-2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)acetate IUPAC Name: 2-(4-cyanoanilino)-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)acetate Traditional Name: 2-(4-benzoxy-3-methoxy-5-nitro-phenyl)-2-(4-cyanoanilino)acetate Formula: C23H18N3O6- MolecularWeight: 432.40552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)[N+](=O)[O-])C(C(=O)[O-])NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)[N+](=O)[O-])C(C(=O)[O-])NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H19N3O6/c1-31-20-12-17(21(23(27)28)25-18-9-7-15(13-24)8-10-18)11-19(26(29)30)22(20)32-14-16-5-3-2-4-6-16/h2-12,21,25H,14H2,1H3,(H,27,28)/p-1