tert-butyl 2-methyl-4-nitro-3-phenyl-butanoate

Systemtic Name: tert-butyl 2-methyl-4-nitro-3-phenyl-butanoate Openeye Name: tert-butyl 2-methyl-4-nitro-3-phenyl-butanoate CAS Name: 2-methyl-4-nitro-3-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-nitro-3-phenylbutanoate Traditional Name: 2-methyl-4-nitro-3-phenyl-butyric acid tert-butyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-11(14(17)20-15(2,3)4)13(10-16(18)19)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3