(7-nitro-6-phenyl-heptan-2-yl) 2,2-dimethylpropanoate

Systemtic Name: (7-nitro-6-phenyl-heptan-2-yl) 2,2-dimethylpropanoate Openeye Name: (1-methyl-6-nitro-5-phenyl-hexyl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (7-nitro-6-phenylheptan-2-yl) ester IUPAC Name: (7-nitro-6-phenylheptan-2-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (1-methyl-6-nitro-5-phenyl-hexyl) ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-14(23-17(20)18(2,3)4)9-8-12-16(13-19(21)22)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3