methyl 4-(2-methoxy-5-methyl-phenoxy)-3-nitro-benzoate

Systemtic Name: methyl 4-(2-methoxy-5-methyl-phenoxy)-3-nitro-benzoate Openeye Name: methyl 4-(2-methoxy-5-methyl-phenoxy)-3-nitro-benzoate CAS Name: 4-(2-methoxy-5-methylphenoxy)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-5-methylphenoxy)-3-nitrobenzoate Traditional Name: 4-(2-methoxy-5-methyl-phenoxy)-3-nitro-benzoic acid methyl ester Formula: C16H15NO6 MolecularWeight: 317.2934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6/c1-10-4-6-14(21-2)15(8-10)23-13-7-5-11(16(18)22-3)9-12(13)17(19)20/h4-9H,1-3H3