4-[1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethenyl]benzoic acid Openeye Name: 4-[2-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethenyl]benzoic acid Traditional Name: 4-[2-(4-benzoxy-5-methoxy-2-nitro-phenyl)-1-cyano-vinyl]benzoic acid Formula: C24H18N2O6 MolecularWeight: 430.40952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H18N2O6/c1-31-22-12-19(11-20(14-25)17-7-9-18(10-8-17)24(27)28)21(26(29)30)13-23(22)32-15-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H,27,28)