(3S)-1-(1-methyl-5-nitro-pyrrol-2-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(1-methyl-5-nitro-pyrrol-2-yl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(1-methyl-5-nitropyrrole-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)nipecotate Formula: C12H14N3O5- MolecularWeight: 280.25666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-13-9(4-5-10(13)15(19)20)11(16)14-6-2-3-8(7-14)12(17)18/h4-5,8H,2-3,6-7H2,1H3,(H,17,18)/p-1/t8-/m0/s1