ethyl 3,3-dimethyl-4-nitro-5-phenyl-pentanoate

Systemtic Name: ethyl 3,3-dimethyl-4-nitro-5-phenyl-pentanoate Openeye Name: ethyl 3,3-dimethyl-4-nitro-5-phenyl-pentanoate CAS Name: 3,3-dimethyl-4-nitro-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3,3-dimethyl-4-nitro-5-phenylpentanoate Traditional Name: 3,3-dimethyl-4-nitro-5-phenyl-valeric acid ethyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)C(CC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C)(C)C(CC1=CC=CC=C1)[N+](=O)[O-]

InChI

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