ethyl 1-[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H19ClFN5O4 MolecularWeight: 423.825963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN5O4/c1-2-29-18(26)11-4-3-7-24(9-11)17-15(25(27)28)16(21-10-22-17)23-12-5-6-14(20)13(19)8-12/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,21,22,23)