5-[1-(4-methoxyphenyl)-2-nitro-propyl]-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(4-methoxyphenyl)-2-nitro-propyl]-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-methoxyphenyl)-2-nitro-propyl]-1,3,5-trimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-methoxyphenyl)-2-nitropropyl]-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-methoxyphenyl)-2-nitropropyl]-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(4-methoxyphenyl)-2-nitro-propyl]-1,3,5-trimethyl-barbituric acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)OC)C2(C(=O)N(C(=O)N(C2=O)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC=C(C=C1)OC)C2(C(=O)N(C(=O)N(C2=O)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-10(20(24)25)13(11-6-8-12(26-5)9-7-11)17(2)14(21)18(3)16(23)19(4)15(17)22/h6-10,13H,1-5H3