4-[2-[5-methyl-2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5-methyl-2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[5-methyl-2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[5-methyl-2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5-methyl-2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[5-methyl-2-nitro-4-(2-phenylethynyl)phenyl]ethynyl]benzoic acid Formula: C24H15NO4 MolecularWeight: 381.3802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=C1)C#CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C24H15NO4/c1-17-15-22(14-10-19-7-11-20(12-8-19)24(26)27)23(25(28)29)16-21(17)13-9-18-5-3-2-4-6-18/h2-8,11-12,15-16H,1H3,(H,26,27)