4-[(2-nitrophenyl)sulfanylamino]cyclohexane-1-carboxylate

Systemtic Name: 4-[(2-nitrophenyl)sulfanylamino]cyclohexane-1-carboxylate Openeye Name: 4-[(2-nitrophenyl)sulfanylamino]cyclohexanecarboxylate CAS Name: 4-[[(2-nitrophenyl)thio]amino]-1-cyclohexanecarboxylate IUPAC Name: 4-[(2-nitrophenyl)sulfanylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-nitrophenyl)thio]amino]cyclohexanecarboxylate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c16-13(17)9-5-7-10(8-6-9)14-20-12-4-2-1-3-11(12)15(18)19/h1-4,9-10,14H,5-8H2,(H,16,17)/p-1