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

Systemtic Name: 2-[4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid Formula: C18H13N3O6S MolecularWeight: 399.37732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6S/c22-17(23)10-27-14-4-1-11(2-5-14)9-19-20-18(24)16-8-12-7-13(21(25)26)3-6-15(12)28-16/h1-9H,10H2,(H,20,24)(H,22,23)