[4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C23H14ClN3O7 MolecularWeight: 479.82616

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H14ClN3O7/c1-33-22-9-14(8-17(13-25)15-3-5-18(24)6-4-15)2-7-21(22)34-23(28)16-10-19(26(29)30)12-20(11-16)27(31)32/h2-12H,1H3