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

Systemtic Name: ethyl 4-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5/c1-3-31-21(28)26-11-9-25(10-12-26)19-18(27(29)30)20(23-13-22-19)32-16-6-4-5-15-8-7-14(2)24-17(15)16/h4-8,13H,3,9-12H2,1-2H3