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

Systemtic Name: ethyl 1-[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C17H19ClN6O4 MolecularWeight: 406.82356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN6O4/c1-2-28-17(25)11-5-4-8-23(9-11)16-13(24(26)27)15(20-10-21-16)22-12-6-3-7-19-14(12)18/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,20,21,22)