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

Systemtic Name: ethyl 1-[6-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c1-3-31-20(27)14-5-7-16(8-6-14)24-18-17(26(29)30)19(23-13-22-18)25-11-9-15(10-12-25)21(28)32-4-2/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,22,23,24)