1-[4-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-nitro-4-[(N'E)-N'-piperonylidenehydrazino]phenyl]sulfonylisonipecotic acid Formula: C20H20N4O8S MolecularWeight: 476.4598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O8S/c25-20(26)14-5-7-23(8-6-14)33(29,30)15-2-3-16(17(10-15)24(27)28)22-21-11-13-1-4-18-19(9-13)32-12-31-18/h1-4,9-11,14,22H,5-8,12H2,(H,25,26)/b21-11+