(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/c1-10-7-11(5-6-12(10)18(22)23)15(21)17-8-14(20)24-9-13(19)16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,21)