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

Systemtic Name: ethyl 1-[6-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(4-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)14-7-9-16(10-8-14)24-18-17(26(29)30)19(23-13-22-18)25-11-5-6-15(12-25)21(28)32-4-2/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,22,23,24)