dimethyl 2-azanyl-3-oxidanylidene-4,6-bis(trifluoromethyl)phenoxazine-1,9-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-3-oxidanylidene-4,6-bis(trifluoromethyl)phenoxazine-1,9-dicarboxylate Openeye Name: dimethyl 2-amino-3-oxo-4,6-bis(trifluoromethyl)phenoxazine-1,9-dicarboxylate CAS Name: 2-amino-3-oxo-4,6-bis(trifluoromethyl)phenoxazine-1,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-3-oxo-4,6-bis(trifluoromethyl)phenoxazine-1,9-dicarboxylate Traditional Name: 2-amino-3-keto-4,6-bis(trifluoromethyl)phenoxazine-1,9-dicarboxylic acid dimethyl ester Formula: C18H10F6N2O6 MolecularWeight: 464.272219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(C=C1)C(F)(F)F)OC3=C(C(=O)C(=C(C3=N2)C(=O)OC)N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2C(=C(C=C1)C(F)(F)F)OC3=C(C(=O)C(=C(C3=N2)C(=O)OC)N)C(F)(F)F

InChI

InChI=1S/C18H10F6N2O6/c1-30-15(28)5-3-4-6(17(19,20)21)13-10(5)26-11-7(16(29)31-2)9(25)12(27)8(14(11)32-13)18(22,23)24/h3-4H,25H2,1-2H3