1-(2,4-dinitrophenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2,4-dinitrophenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4-dinitrophenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2,4-dinitrophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4-dinitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2,4-dinitrophenyl)sulfonylisonipecotic acid Formula: C12H13N3O8S MolecularWeight: 359.31192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O8S/c16-12(17)8-3-5-13(6-4-8)24(22,23)11-2-1-9(14(18)19)7-10(11)15(20)21/h1-2,7-8H,3-6H2,(H,16,17)