(3,3-dimethyl-2-oxidanylidene-butyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-17(2,3)15(20)11-24-16(21)12-6-7-13(14(10-12)19(22)23)18-8-4-5-9-18/h6-7,10H,4-5,8-9,11H2,1-3H3