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

Systemtic Name: 2-methyl-3-[5-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-methyl-3-[5-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid CAS Name: 2-methyl-3-[5-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-methyl-3-[5-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-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=CC=C1C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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