(3R)-4-nitro-1-(1-oxidanylcyclohexyl)-3-phenyl-butan-1-one

Systemtic Name: (3R)-4-nitro-1-(1-oxidanylcyclohexyl)-3-phenyl-butan-1-one Openeye Name: (3R)-1-(1-hydroxycyclohexyl)-4-nitro-3-phenyl-butan-1-one CAS Name: (3R)-1-(1-hydroxycyclohexyl)-4-nitro-3-phenyl-1-butanone IUPAC Name: (3R)-1-(1-hydroxycyclohexyl)-4-nitro-3-phenylbutan-1-one Traditional Name: (3R)-1-(1-hydroxycyclohexyl)-4-nitro-3-phenyl-butan-1-one Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c18-15(16(19)9-5-2-6-10-16)11-14(12-17(20)21)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2/t14-/m0/s1