methyl 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethynyl]benzoate

Systemtic Name: methyl 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethynyl]benzoate Openeye Name: methyl 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethynyl]benzoate CAS Name: 2-[2-(4,5-dimethoxy-2-nitrophenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4,5-dimethoxy-2-nitrophenyl)ethynyl]benzoate Traditional Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethynyl]benzoic acid methyl ester Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#CC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#CC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15NO6/c1-23-16-10-13(15(19(21)22)11-17(16)24-2)9-8-12-6-4-5-7-14(12)18(20)25-3/h4-7,10-11H,1-3H3