methyl 3-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl 3-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: methyl 3-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-tert-butyl-4-hydroxy-5-nitrophenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)propionic acid methyl ester Formula: C14H19NO5 MolecularWeight: 281.30436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5/c1-14(2,3)10-7-9(5-6-12(16)20-4)8-11(13(10)17)15(18)19/h7-8,17H,5-6H2,1-4H3