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

Systemtic Name: ethyl 1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperidine-2-carboxylate CAS Name: 1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidine-2-carboxylate Traditional Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]pipecolinic acid ethyl ester Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCCN1C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN5O4/c1-2-28-17(25)14-5-3-4-10-23(14)16-15(24(26)27)11-20-18(22-16)21-13-8-6-12(19)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,20,21,22)