5-[[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-nitro-4-[4-(4-nitrophenyl)piperazino]benzylidene]barbituric acid Formula: C21H18N6O7 MolecularWeight: 466.40362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)C=C4C(=O)NC(=O)NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)C=C4C(=O)NC(=O)NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O7/c28-19-16(20(29)23-21(30)22-19)11-13-1-6-17(18(12-13)27(33)34)25-9-7-24(8-10-25)14-2-4-15(5-3-14)26(31)32/h1-6,11-12H,7-10H2,(H2,22,23,28,29,30)