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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)NN=CC3=C(C=CC(=C3)Br)OCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)NN=CC3=C(C=CC(=C3)Br)OCC(=O)O

InChI

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