methyl 1-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC)C=C1

InChI

InChI=1S/C21H21N5O5/c1-13-6-7-14-4-3-5-16(17(14)24-13)31-20-18(26(28)29)19(22-12-23-20)25-10-8-15(9-11-25)21(27)30-2/h3-7,12,15H,8-11H2,1-2H3