(1R,2S)-2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(piperonyloylamino)carbamoyl]cyclohexanecarboxylate Formula: C16H17N2O6- MolecularWeight: 333.31598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O6/c19-14(9-5-6-12-13(7-9)24-8-23-12)17-18-15(20)10-3-1-2-4-11(10)16(21)22/h5-7,10-11H,1-4,8H2,(H,17,19)(H,18,20)(H,21,22)/p-1/t10-,11+/m0/s1