6-[4-[3-(2-ethanoyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1-methyl-pyrimidine-2,4-dione

Systemtic Name: 6-[4-[3-(2-ethanoyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(2-acetyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-(2-acetyl-4-nitrophenoxy)propyl]-1-piperazinyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(2-acetyl-4-nitrophenoxy)propyl]piperazin-1-yl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-(2-acetyl-4-nitro-phenoxy)propyl]piperazino]-1-methyl-pyrimidine-2,4-quinone Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCCN2CCN(CC2)C3=CC(=O)NC(=O)N3C

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCCN2CCN(CC2)C3=CC(=O)NC(=O)N3C

InChI

InChI=1S/C20H25N5O6/c1-14(26)16-12-15(25(29)30)4-5-17(16)31-11-3-6-23-7-9-24(10-8-23)19-13-18(27)21-20(28)22(19)2/h4-5,12-13H,3,6-11H2,1-2H3,(H,21,27,28)