5,5-bis[(3-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5,5-bis[(3-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5,5-bis[(3-nitrophenyl)methyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5,5-bis[(3-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5,5-bis[(3-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5,5-bis(3-nitrobenzyl)barbituric acid Formula: C18H14N4O7 MolecularWeight: 398.32636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2(C(=O)NC(=O)NC2=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2(C(=O)NC(=O)NC2=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O7/c23-15-18(16(24)20-17(25)19-15,9-11-3-1-5-13(7-11)21(26)27)10-12-4-2-6-14(8-12)22(28)29/h1-8H,9-10H2,(H2,19,20,23,24,25)