(3S)-1-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)nipecotic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCC(C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC[C@@H](C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-13-7-9(15(19)20)5-10(13)11(16)14-4-2-3-8(6-14)12(17)18/h5,7-8H,2-4,6H2,1H3,(H,17,18)/t8-/m0/s1