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

Systemtic Name: 4-[5-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid CAS Name: 4-[5-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 4-[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=C1C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

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