methyl 3-[2-[3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H16N2O7S MolecularWeight: 452.43664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O7S/c1-31-22(26)17-6-2-4-15(12-17)8-9-16-5-3-7-18(13-16)23-32(29,30)19-10-11-21(25)20(14-19)24(27)28/h2-7,10-14,23,25H,1H3