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

Systemtic Name: ethyl 1-[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O5/c1-2-33-24(30)17-7-6-14-28(15-17)23-21(29(31)32)22(25-16-26-23)27-18-10-12-20(13-11-18)34-19-8-4-3-5-9-19/h3-5,8-13,16-17H,2,6-7,14-15H2,1H3,(H,25,26,27)