ethyl 2-[[2-(dimethylamino)-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl]-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-(dimethylamino)-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl]-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(dimethylamino)-5-nitro-4-oxo-1H-pyrimidin-6-yl]-methyl-amino]acetate CAS Name: 2-[[2-(dimethylamino)-5-nitro-4-oxo-1H-pyrimidin-6-yl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(dimethylamino)-5-nitro-4-oxo-1H-pyrimidin-6-yl]-methylamino]acetate Traditional Name: 2-[[2-(dimethylamino)-4-keto-5-nitro-1H-pyrimidin-6-yl]-methyl-amino]acetic acid ethyl ester Formula: C11H17N5O5 MolecularWeight: 299.28318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C1=C(C(=O)N=C(N1)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C)C1=C(C(=O)N=C(N1)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H17N5O5/c1-5-21-7(17)6-15(4)9-8(16(19)20)10(18)13-11(12-9)14(2)3/h5-6H2,1-4H3,(H,12,13,18)