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

Systemtic Name: 5-[1-(4-dimethylaminophenyl)-2-nitro-propyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-dimethylaminophenyl)-2-nitro-propyl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-dimethylaminophenyl)-2-nitropropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-dimethylaminophenyl)-2-nitropropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(4-dimethylaminophenyl)-2-nitro-propyl]-1,3-dimethyl-barbituric acid Formula: C17H22N4O5 MolecularWeight: 362.38038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1C(=O)N(C(=O)N(C1=O)C)C)C2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1C(=O)N(C(=O)N(C1=O)C)C)C2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5/c1-10(21(25)26)13(11-6-8-12(9-7-11)18(2)3)14-15(22)19(4)17(24)20(5)16(14)23/h6-10,13-14H,1-5H3