methyl 2-(4-tert-butyl-3-nitro-phenyl)ethanoate

Systemtic Name: methyl 2-(4-tert-butyl-3-nitro-phenyl)ethanoate Openeye Name: methyl 2-(4-tert-butyl-3-nitro-phenyl)acetate CAS Name: 2-(4-tert-butyl-3-nitrophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-tert-butyl-3-nitrophenyl)acetate Traditional Name: 2-(4-tert-butyl-3-nitro-phenyl)acetic acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-13(2,3)10-6-5-9(8-12(15)18-4)7-11(10)14(16)17/h5-7H,8H2,1-4H3