methyl 4-(dimethylamino)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(dimethylamino)-3,5-dinitro-benzoate Openeye Name: methyl 4-(dimethylamino)-3,5-dinitro-benzoate CAS Name: 4-(dimethylamino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(dimethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(dimethylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C10H11N3O6 MolecularWeight: 269.21084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O6/c1-11(2)9-7(12(15)16)4-6(10(14)19-3)5-8(9)13(17)18/h4-5H,1-3H3