2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(piperonyloylamino)carbamoyl]cyclohexanecarboxylic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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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

C1CCC(C(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)