[(1S)-2-oxidanylidenecyclohexyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5/c20-15-5-1-2-6-16(15)24-17(21)12-7-8-13(14(11-12)19(22)23)18-9-3-4-10-18/h7-8,11,16H,1-6,9-10H2/t16-/m0/s1