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

Systemtic Name: methyl 3-methoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzoate Openeye Name: methyl 3-methoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzoate CAS Name: 3-methoxy-4-(4-methylsulfonyl-2-nitrophenoxy)benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-(4-methylsulfonyl-2-nitrophenoxy)benzoate Traditional Name: 4-(4-mesyl-2-nitro-phenoxy)-3-methoxy-benzoic acid methyl ester Formula: C16H15NO8S MolecularWeight: 381.3572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO8S/c1-23-15-8-10(16(18)24-2)4-6-14(15)25-13-7-5-11(26(3,21)22)9-12(13)17(19)20/h4-9H,1-3H3