(3-tert-butyl-2,2-dimethyl-hex-5-en-3-yl) 4-nitrobenzoate

Systemtic Name: (3-tert-butyl-2,2-dimethyl-hex-5-en-3-yl) 4-nitrobenzoate Openeye Name: 1,1-ditert-butylbut-3-enyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-tert-butyl-2,2-dimethylhex-5-en-3-yl) ester IUPAC Name: (3-tert-butyl-2,2-dimethylhex-5-en-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,1-ditert-butylbut-3-enyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-8-13-19(17(2,3)4,18(5,6)7)24-16(21)14-9-11-15(12-10-14)20(22)23/h8-12H,1,13H2,2-7H3