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

Systemtic Name: 3-[[3-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]methyl]benzoic acid Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)C=NNC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)C=NNC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O5S/c31-25(24-12-18-11-20(30(34)35)8-9-23(18)36-24)28-27-13-19-15-29(22-7-2-1-6-21(19)22)14-16-4-3-5-17(10-16)26(32)33/h1-13,15H,14H2,(H,28,31)(H,32,33)