1-[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C15H15ClN6O4 MolecularWeight: 378.7704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN6O4/c16-12-10(2-1-5-17-12)20-13-11(22(25)26)14(19-8-18-13)21-6-3-9(4-7-21)15(23)24/h1-2,5,8-9H,3-4,6-7H2,(H,23,24)(H,18,19,20)