2-(1,3-benzodioxol-5-yl)-2-(2-nitroethyl)cyclohexan-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(2-nitroethyl)cyclohexan-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(2-nitroethyl)cyclohexanone CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(2-nitroethyl)-1-cyclohexanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(2-nitroethyl)cyclohexan-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(2-nitroethyl)cyclohexanone Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CC[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(C(=O)C1)(CC[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17NO5/c17-14-3-1-2-6-15(14,7-8-16(18)19)11-4-5-12-13(9-11)21-10-20-12/h4-5,9H,1-3,6-8,10H2