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

Systemtic Name: ethyl 1-[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-3-32-22(29)15-9-11-27(12-10-15)21-19(28(30)31)20(23-13-24-21)26-18-6-4-5-17-16(18)8-7-14(2)25-17/h4-8,13,15H,3,9-12H2,1-2H3,(H,23,24,26)