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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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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-])NCCO

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-15(2,3)13(19)9-23-14(20)11-8-10(17(21)22)4-5-12(11)16-6-7-18/h4-5,8,16,18H,6-7,9H2,1-3H3