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

Systemtic Name: methyl 1-[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H17ClN6O4 MolecularWeight: 392.79698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN6O4/c1-27-16(24)10-4-7-22(8-5-10)15-12(23(25)26)14(19-9-20-15)21-11-3-2-6-18-13(11)17/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,20,21)