methyl (2S)-2-(2-nitropropan-2-yl)-4-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-(2-nitropropan-2-yl)-4-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-(1-methyl-1-nitro-ethyl)-4-oxo-pentanoate CAS Name: (2S)-2-(2-nitropropan-2-yl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-nitropropan-2-yl)-4-oxopentanoate Traditional Name: (2S)-4-keto-2-(1-methyl-1-nitro-ethyl)valeric acid methyl ester Formula: C9H15NO5 MolecularWeight: 217.2191

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)OC)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C[C@H](C(=O)OC)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C9H15NO5/c1-6(11)5-7(8(12)15-4)9(2,3)10(13)14/h7H,5H2,1-4H3/t7-/m1/s1