ethyl 3-(4-tert-butylphenyl)-4-nitro-pentanoate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-4-nitro-pentanoate Openeye Name: ethyl 3-(4-tert-butylphenyl)-4-nitro-pentanoate CAS Name: 3-(4-tert-butylphenyl)-4-nitropentanoic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-4-nitropentanoate Traditional Name: 3-(4-tert-butylphenyl)-4-nitro-valeric acid ethyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-6-22-16(19)11-15(12(2)18(20)21)13-7-9-14(10-8-13)17(3,4)5/h7-10,12,15H,6,11H2,1-5H3