[4-(4-nitrophenyl)piperazin-1-yl]-[(1R,2S)-2-oxidanylcyclohexyl]methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-[(1R,2S)-2-oxidanylcyclohexyl]methanone Openeye Name: [(1R,2S)-2-hydroxycyclohexyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [(1R,2S)-2-hydroxycyclohexyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [(1R,2S)-2-hydroxycyclohexyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [(1R,2S)-2-hydroxycyclohexyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H23N3O4/c21-16-4-2-1-3-15(16)17(22)19-11-9-18(10-12-19)13-5-7-14(8-6-13)20(23)24/h5-8,15-16,21H,1-4,9-12H2/t15-,16+/m1/s1