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

Systemtic Name: methyl 4-[2-(4-bromanyl-5-methyl-2-nitro-phenyl)ethynyl]benzoate Openeye Name: methyl 4-[2-(4-bromo-5-methyl-2-nitro-phenyl)ethynyl]benzoate CAS Name: 4-[2-(4-bromo-5-methyl-2-nitrophenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-5-methyl-2-nitrophenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-bromo-5-methyl-2-nitro-phenyl)ethynyl]benzoic acid methyl ester Formula: C17H12BrNO4 MolecularWeight: 374.18548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO4/c1-11-9-14(16(19(21)22)10-15(11)18)8-5-12-3-6-13(7-4-12)17(20)23-2/h3-4,6-7,9-10H,1-2H3