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

Systemtic Name: 3-[2-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[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=CC(=CC(=C1)N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

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