methyl 4-(2-methyl-3-nitro-phenoxy)butanoate

Systemtic Name: methyl 4-(2-methyl-3-nitro-phenoxy)butanoate Openeye Name: methyl 4-(2-methyl-3-nitro-phenoxy)butanoate CAS Name: 4-(2-methyl-3-nitrophenoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-3-nitrophenoxy)butanoate Traditional Name: 4-(2-methyl-3-nitro-phenoxy)butyric acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5/c1-9-10(13(15)16)5-3-6-11(9)18-8-4-7-12(14)17-2/h3,5-6H,4,7-8H2,1-2H3