3-[[4-nitro-2-(phenylcarbonyl)phenyl]methyl]-1-piperazin-1-yl-pyrimidine-2,4-dione

Systemtic Name: 3-[[4-nitro-2-(phenylcarbonyl)phenyl]methyl]-1-piperazin-1-yl-pyrimidine-2,4-dione Openeye Name: 3-[(2-benzoyl-4-nitro-phenyl)methyl]-1-piperazin-1-yl-pyrimidine-2,4-dione CAS Name: 3-[(2-benzoyl-4-nitrophenyl)methyl]-1-(1-piperazinyl)pyrimidine-2,4-dione IUPAC Name: 3-[(2-benzoyl-4-nitrophenyl)methyl]-1-piperazin-1-ylpyrimidine-2,4-dione Traditional Name: 3-(2-benzoyl-4-nitro-benzyl)-1-piperazino-pyrimidine-2,4-quinone Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2C=CC(=O)N(C2=O)CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)N2C=CC(=O)N(C2=O)CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O5/c28-20-8-11-26(24-12-9-23-10-13-24)22(30)25(20)15-17-6-7-18(27(31)32)14-19(17)21(29)16-4-2-1-3-5-16/h1-8,11,14,23H,9-10,12-13,15H2