6-[4-(4-bromophenyl)carbonyl-4-ethyl-2-(2-nitrophenoxy)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[4-(4-bromophenyl)carbonyl-4-ethyl-2-(2-nitrophenoxy)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-(4-bromobenzoyl)-4-ethyl-2-(2-nitrophenoxy)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[(4-bromophenyl)-oxomethyl]-4-ethyl-2-(2-nitrophenoxy)-1-piperazin-4-iumyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-(4-bromobenzoyl)-4-ethyl-2-(2-nitrophenoxy)piperazin-4-ium-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-(4-bromobenzoyl)-4-ethyl-2-(2-nitrophenoxy)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C25H27BrN5O6+ MolecularWeight: 573.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(C(C1)OC2=CC=CC=C2[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC[N+]1(CCN(C(C1)OC2=CC=CC=C2[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H27BrN5O6/c1-4-31(24(33)17-9-11-18(26)12-10-17)14-13-29(21-15-22(32)28(3)25(34)27(21)2)23(16-31)37-20-8-6-5-7-19(20)30(35)36/h5-12,15,23H,4,13-14,16H2,1-3H3/q+1