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

Systemtic Name: ethyl 4-ethyl-6-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-ethyl-6-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-6-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H18N4O7/c1-3-12-14(17(25)29-4-2)13(20-18(26)19-12)8-21-15(23)10-6-5-9(22(27)28)7-11(10)16(21)24/h5-7,12H,3-4,8H2,1-2H3,(H2,19,20,26)