ethyl 6-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16N4O9 MolecularWeight: 432.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O9/c1-2-30-17(26)10-6-19-18(27)20-11(10)8-31-13(23)7-21-15(24)9-4-3-5-12(22(28)29)14(9)16(21)25/h3-5H,2,6-8H2,1H3,(H2,19,20,27)