[4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C23H15ClN2O5 MolecularWeight: 434.8286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClN2O5/c1-30-22-13-15(12-18(14-25)16-3-7-19(24)8-4-16)2-11-21(22)31-23(27)17-5-9-20(10-6-17)26(28)29/h2-13H,1H3