ethyl (2S)-2-[[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[(1,3-dimethyl-5-nitro-2,6-dioxo-pyrimidin-4-yl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(1,3-dimethyl-5-nitro-2,6-dioxo-4-pyrimidinyl)amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,6-diketo-1,3-dimethyl-5-nitro-pyrimidin-4-yl)amino]-3-methyl-butyric acid ethyl ester Formula: C13H20N4O6 MolecularWeight: 328.3211

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)NC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O6/c1-6-23-12(19)8(7(2)3)14-10-9(17(21)22)11(18)16(5)13(20)15(10)4/h7-8,14H,6H2,1-5H3/t8-/m0/s1