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

Systemtic Name: 1-(1-ethyl-4-nitro-pyrrol-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-ethyl-4-nitro-pyrrole-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-ethyl-4-nitropyrrole-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-ethyl-4-nitro-pyrrole-2-carbonyl)isonipecotic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)N2CCC(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=C1C(=O)N2CCC(CC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-2-14-8-10(16(20)21)7-11(14)12(17)15-5-3-9(4-6-15)13(18)19/h7-9H,2-6H2,1H3,(H,18,19)