1-(2-chloranyl-6-methyl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-chloranyl-6-methyl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(2-chloro-6-methyl-5-nitro-4-pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)isonipecotic acid Formula: C11H13ClN4O4 MolecularWeight: 300.69832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)Cl)N2CCC(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)Cl)N2CCC(CC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13ClN4O4/c1-6-8(16(19)20)9(14-11(12)13-6)15-4-2-7(3-5-15)10(17)18/h7H,2-5H2,1H3,(H,17,18)