methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-nitrophenyl)ethynyl]benzoate

Systemtic Name: methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-nitrophenyl)ethynyl]benzoate Openeye Name: methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-nitrophenyl)ethynyl]benzoate CAS Name: 4-(4-methoxycarbonylphenyl)-3-[2-(4-nitrophenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxycarbonylphenyl)-3-[2-(4-nitrophenyl)ethynyl]benzoate Traditional Name: 4-(4-carbomethoxyphenyl)-3-[2-(4-nitrophenyl)ethynyl]benzoic acid methyl ester Formula: C24H17NO6 MolecularWeight: 415.39488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H17NO6/c1-30-23(26)18-9-7-17(8-10-18)22-14-11-20(24(27)31-2)15-19(22)6-3-16-4-12-21(13-5-16)25(28)29/h4-5,7-15H,1-2H3