(3,3-dimethyl-2-oxidanylidene-butyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-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=CC(=C(C=C1)NCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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