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

Systemtic Name: 2-chloranyl-5-[5-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid Formula: C21H12ClN3O6S MolecularWeight: 469.85448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12ClN3O6S/c22-16-4-1-11(8-15(16)21(27)28)17-5-3-14(31-17)10-23-24-20(26)19-9-12-7-13(25(29)30)2-6-18(12)32-19/h1-10H,(H,24,26)(H,27,28)