methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: 3-keto-2-methyl-2-(2-nitrobenzyl)butyric acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)C(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H15NO5/c1-9(15)13(2,12(16)19-3)8-10-6-4-5-7-11(10)14(17)18/h4-7H,8H2,1-3H3