2-[2-bromanyl-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid Formula: C18H12BrN3O6S MolecularWeight: 478.27338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OCC(=O)O

InChI

InChI=1S/C18H12BrN3O6S/c19-13-5-10(1-3-14(13)28-9-17(23)24)8-20-21-18(25)16-7-11-6-12(22(26)27)2-4-15(11)29-16/h1-8H,9H2,(H,21,25)(H,23,24)