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

Systemtic Name: ethyl 6-[[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-(3-methylpiperidino)-3-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=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7/c1-3-31-20(27)15-10-22-21(28)23-16(15)12-32-19(26)14-6-7-17(18(9-14)25(29)30)24-8-4-5-13(2)11-24/h6-7,9,13H,3-5,8,10-12H2,1-2H3,(H2,22,23,28)