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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-16(2,3)13(19)9-25-14(20)8-17-15(21)10-5-6-12(24-4)11(7-10)18(22)23/h5-7H,8-9H2,1-4H3,(H,17,21)