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

Systemtic Name: 3-[5-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid Formula: C21H13N3O6S MolecularWeight: 435.40942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6S/c25-20(19-10-14-9-15(24(28)29)4-7-18(14)31-19)23-22-11-16-5-6-17(30-16)12-2-1-3-13(8-12)21(26)27/h1-11H,(H,23,25)(H,26,27)