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

Systemtic Name: 4-[2-(4-bromanyl-5-methyl-2-nitro-phenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-bromo-5-methyl-2-nitro-phenyl)ethynyl]benzoic acid CAS Name: 4-[2-(4-bromo-5-methyl-2-nitrophenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4-bromo-5-methyl-2-nitrophenyl)ethynyl]benzoic acid Traditional Name: 4-[2-(4-bromo-5-methyl-2-nitro-phenyl)ethynyl]benzoic acid Formula: C16H10BrNO4 MolecularWeight: 360.1589

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrNO4/c1-10-8-13(15(18(21)22)9-14(10)17)7-4-11-2-5-12(6-3-11)16(19)20/h2-3,5-6,8-9H,1H3,(H,19,20)