methyl 3-methyl-3-(nitromethyl)-4-oxidanylidene-2-(phenylsulfonyl)pentanoate

Systemtic Name: methyl 3-methyl-3-(nitromethyl)-4-oxidanylidene-2-(phenylsulfonyl)pentanoate Openeye Name: methyl 2-(benzenesulfonyl)-3-methyl-3-(nitromethyl)-4-oxo-pentanoate CAS Name: 2-(benzenesulfonyl)-3-methyl-3-(nitromethyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-3-methyl-3-(nitromethyl)-4-oxopentanoate Traditional Name: 2-besyl-4-keto-3-methyl-3-(nitromethyl)valeric acid methyl ester Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C[N+](=O)[O-])C(C(=O)OC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)C(C)(C[N+](=O)[O-])C(C(=O)OC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17NO7S/c1-10(16)14(2,9-15(18)19)12(13(17)22-3)23(20,21)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3