ethyl 6-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-(4-methylpiperidino)-5-nitro-benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

InChI

InChI=1S/C21H26N4O7/c1-3-31-20(27)16-11-22-21(28)23-17(16)12-32-19(26)15-10-14(25(29)30)4-5-18(15)24-8-6-13(2)7-9-24/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H2,22,23,28)