5-[2-nitro-1-(3-nitrophenyl)ethyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[2-nitro-1-(3-nitrophenyl)ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[2-nitro-1-(3-nitrophenyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[2-nitro-1-(3-nitrophenyl)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[2-nitro-1-(3-nitrophenyl)ethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-nitro-1-(3-nitrophenyl)ethyl]barbituric acid Formula: C12H10N4O7 MolecularWeight: 322.2304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C12H10N4O7/c17-10-9(11(18)14-12(19)13-10)8(5-15(20)21)6-2-1-3-7(4-6)16(22)23/h1-4,8-9H,5H2,(H2,13,14,17,18,19)