(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-16(2,3)14(19)10-24-15(20)12-9-11(18(21)22)5-6-13(12)17-7-8-23-4/h5-6,9,17H,7-8,10H2,1-4H3