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

Systemtic Name: ethyl 1-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]piperidine-4-carboxylate CAS Name: 1-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]isonipecotic acid ethyl ester Formula: C23H29ClN6O4 MolecularWeight: 488.96716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H29ClN6O4/c1-2-34-22(31)16-7-11-28(12-8-16)19-9-13-29(14-10-19)21-20(30(32)33)15-25-23(27-21)26-18-5-3-17(24)4-6-18/h3-6,15-16,19H,2,7-14H2,1H3,(H,25,26,27)