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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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