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

Systemtic Name: ethyl 1-[6-[(4-iodophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(4-iodoanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-iodoanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H20IN5O4 MolecularWeight: 497.28697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20IN5O4/c1-2-28-18(25)12-4-3-9-23(10-12)17-15(24(26)27)16(20-11-21-17)22-14-7-5-13(19)6-8-14/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,22)