3-[[4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]methyl]benzoic acid Formula: C24H17N3O6S MolecularWeight: 475.47328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H17N3O6S/c28-23(22-12-18-11-19(27(31)32)6-9-21(18)34-22)26-25-13-15-4-7-20(8-5-15)33-14-16-2-1-3-17(10-16)24(29)30/h1-13H,14H2,(H,26,28)(H,29,30)