(2S)-1-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperidine-2-carboxylic acid

Systemtic Name: (2S)-1-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperidine-2-carboxylic acid Openeye Name: (2S)-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)piperidine-2-carboxylic acid CAS Name: (2S)-1-[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidine-2-carboxylic acid Traditional Name: (2S)-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pipecolinic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCCC[C@H]2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-13-7-8(15(19)20)6-10(13)11(16)14-5-3-2-4-9(14)12(17)18/h6-7,9H,2-5H2,1H3,(H,17,18)/t9-/m0/s1