[5-methyl-5-nitro-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl] benzoate

Systemtic Name: [5-methyl-5-nitro-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl] benzoate Openeye Name: (5-methyl-5-nitro-2,6-dioxo-hexahydropyrimidin-4-yl) benzoate CAS Name: benzoic acid (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) ester IUPAC Name: (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) benzoate Traditional Name: benzoic acid (2,6-diketo-5-methyl-5-nitro-hexahydropyrimidin-4-yl) ester Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)NC1=O)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(C(NC(=O)NC1=O)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6/c1-12(15(19)20)9(17)13-11(18)14-10(12)21-8(16)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,13,14,17,18)