(2,3,6-trimethylphenyl) 2-(4-nitrophenoxy)ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(4-nitrophenoxy)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid (2,3,6-trimethylphenyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO5/c1-11-4-5-12(2)17(13(11)3)23-16(19)10-22-15-8-6-14(7-9-15)18(20)21/h4-9H,10H2,1-3H3