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

Systemtic Name: 5-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]barbituric acid Formula: C14H15N3O7 MolecularWeight: 337.2848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O7/c1-23-9-4-3-7(5-10(9)24-2)8(6-17(21)22)11-12(18)15-14(20)16-13(11)19/h3-5,8,11H,6H2,1-2H3,(H2,15,16,18,19,20)