(2S)-1-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-nitro-propan-1-one

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-nitro-propan-1-one Openeye Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-nitro-propan-1-one CAS Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-nitro-1-propanone IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-nitropropan-1-one Traditional Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-nitro-propan-1-one Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(CC1)[C@@H](C[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19NO5/c18-16(12-6-7-14-15(8-12)22-10-21-14)13(9-17(19)20)11-4-2-1-3-5-11/h6-8,11,13H,1-5,9-10H2/t13-/m1/s1