ethyl 2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methyl-amino]acetate CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methylamino]acetate Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methyl-amino]acetic acid ethyl ester Formula: C12H13F3N4O6 MolecularWeight: 366.25003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N4O6/c1-3-25-10(20)6-17(2)16-11-8(18(21)22)4-7(12(13,14)15)5-9(11)19(23)24/h4-5,16H,3,6H2,1-2H3