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

Systemtic Name: 4-methyl-3-[5-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-methyl-3-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid CAS Name: 4-methyl-3-[5-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-methyl-3-[5-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 4-methyl-3-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid Formula: C22H15N3O6S MolecularWeight: 449.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O6S/c1-12-2-3-13(22(27)28)9-17(12)18-6-5-16(31-18)11-23-24-21(26)20-10-14-8-15(25(29)30)4-7-19(14)32-20/h2-11H,1H3,(H,24,26)(H,27,28)