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

Systemtic Name: 4-[2-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N4O5S/c26-20(19-11-14-10-16(25(29)30)7-8-18(14)31-19)23-22-12-17-2-1-9-24(17)15-5-3-13(4-6-15)21(27)28/h1-12H,(H,23,26)(H,27,28)