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

Systemtic Name: 5-[1-(2-chlorophenyl)-2-nitro-ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(2-chlorophenyl)-2-nitro-ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(2-chlorophenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(2-chlorophenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(2-chlorophenyl)-2-nitro-ethyl]barbituric acid Formula: C12H10ClN3O5 MolecularWeight: 311.6779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O5/c13-8-4-2-1-3-6(8)7(5-16(20)21)9-10(17)14-12(19)15-11(9)18/h1-4,7,9H,5H2,(H2,14,15,17,18,19)