3,3-dimethylbutyl 5-(4-nitrophenyl)pentanoate

Systemtic Name: 3,3-dimethylbutyl 5-(4-nitrophenyl)pentanoate Openeye Name: 3,3-dimethylbutyl 5-(4-nitrophenyl)pentanoate CAS Name: 5-(4-nitrophenyl)pentanoic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 5-(4-nitrophenyl)pentanoate Traditional Name: 5-(4-nitrophenyl)valeric acid 3,3-dimethylbutyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=O)CCCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CCOC(=O)CCCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H25NO4/c1-17(2,3)12-13-22-16(19)7-5-4-6-14-8-10-15(11-9-14)18(20)21/h8-11H,4-7,12-13H2,1-3H3