3-[6-(bromomethyl)-3-methyl-5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl ethanoate

Systemtic Name: 3-[6-(bromomethyl)-3-methyl-5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl ethanoate Openeye Name: 3-[6-(bromomethyl)-3-methyl-5-nitro-2,4-dioxo-pyrimidin-1-yl]propyl acetate CAS Name: acetic acid 3-[6-(bromomethyl)-3-methyl-5-nitro-2,4-dioxo-1-pyrimidinyl]propyl ester IUPAC Name: 3-[6-(bromomethyl)-3-methyl-5-nitro-2,4-dioxopyrimidin-1-yl]propyl acetate Traditional Name: acetic acid 3-[6-(bromomethyl)-2,4-diketo-3-methyl-5-nitro-pyrimidin-1-yl]propyl ester Formula: C11H14BrN3O6 MolecularWeight: 364.14936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])CBr

Isomeric SMILES

CC(=O)OCCCN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])CBr

InChI

InChI=1S/C11H14BrN3O6/c1-7(16)21-5-3-4-14-8(6-12)9(15(19)20)10(17)13(2)11(14)18/h3-6H2,1-2H3