(2S)-1-(1-methyl-5-nitro-pyrrol-2-yl)carbonylpiperidine-2-carboxylate

Systemtic Name: (2S)-1-(1-methyl-5-nitro-pyrrol-2-yl)carbonylpiperidine-2-carboxylate Openeye Name: (2S)-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)piperidine-2-carboxylate CAS Name: (2S)-1-[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]-2-piperidinecarboxylate IUPAC Name: (2S)-1-(1-methyl-5-nitropyrrole-2-carbonyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)pipecolinate Formula: C12H14N3O5- MolecularWeight: 280.25666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CCCCC2C(=O)[O-]

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-13-8(5-6-10(13)15(19)20)11(16)14-7-3-2-4-9(14)12(17)18/h5-6,9H,2-4,7H2,1H3,(H,17,18)/p-1/t9-/m0/s1