4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]cyclohexanecarboxylic acid CAS Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]cyclohexanecarboxylic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CC(CCC1C(=O)O)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H18N2O6/c18-15(19)9-1-3-11(4-2-9)16-7-10-5-13-14(23-8-22-13)6-12(10)17(20)21/h5-6,9,11,16H,1-4,7-8H2,(H,18,19)