ethyl 1-[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-4-29-20(26)15-8-10-24(11-9-15)19-17(25(27)28)18(21-12-22-19)23-16-7-5-6-13(2)14(16)3/h5-7,12,15H,4,8-11H2,1-3H3,(H,21,22,23)