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

Systemtic Name: 5-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-methoxyphenyl)-2-nitro-ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-methoxyphenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-methoxyphenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(4-methoxyphenyl)-2-nitro-ethyl]barbituric acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

Isomeric SMILES

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H13N3O6/c1-22-8-4-2-7(3-5-8)9(6-16(20)21)10-11(17)14-13(19)15-12(10)18/h2-5,9-10H,6H2,1H3,(H2,14,15,17,18,19)