dimethyl 5-nitro-4-(2-phenylethynyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-nitro-4-(2-phenylethynyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-nitro-4-(2-phenylethynyl)benzene-1,3-dicarboxylate CAS Name: 5-nitro-4-(2-phenylethynyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-nitro-4-(2-phenylethynyl)benzene-1,3-dicarboxylate Traditional Name: 5-nitro-4-(2-phenylethynyl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H13NO6 MolecularWeight: 339.29892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C#CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C#CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H13NO6/c1-24-17(20)13-10-15(18(21)25-2)14(16(11-13)19(22)23)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3