dimethyl 4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-2,6-bis(oxidanyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-2,6-bis(oxidanyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxo-ethyl)-5-nitro-benzene-1,3-dicarboxylate CAS Name: 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)-5-nitrobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)-5-nitrobenzene-1,3-dicarboxylate Traditional Name: 2,4-dihydroxy-6-(2-keto-2-methoxy-ethyl)-5-nitro-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C13H13NO10 MolecularWeight: 343.24302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=C(C(=C1[N+](=O)[O-])O)C(=O)OC)O)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C(=C(C(=C1[N+](=O)[O-])O)C(=O)OC)O)C(=O)OC

InChI

InChI=1S/C13H13NO10/c1-22-6(15)4-5-7(12(18)23-2)10(16)8(13(19)24-3)11(17)9(5)14(20)21/h16-17H,4H2,1-3H3