(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-15(2,3)12(18)9-23-13(19)8-16-14(20)10-5-4-6-11(7-10)17(21)22/h4-7H,8-9H2,1-3H3,(H,16,20)