ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-6,7-dinitro-quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-6,7-dinitro-quinoxaline-2-carboxylate Openeye Name: ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-6,7-dinitro-quinoxaline-2-carboxylate CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6,7-dinitro-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-6,7-dinitroquinoxaline-2-carboxylate Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6,7-dinitro-quinoxaline-2-carboxylic acid ethyl ester Formula: C19H10F6N4O6 MolecularWeight: 504.296319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H10F6N4O6/c1-2-35-17(30)16-15(8-3-9(18(20,21)22)5-10(4-8)19(23,24)25)26-11-6-13(28(31)32)14(29(33)34)7-12(11)27-16/h3-7H,2H2,1H3