methyl 3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanoate CAS Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propanoate Traditional Name: 3-(N-[2,6-dinitro-4-(trifluoromethyl)anilino]anilino)propionic acid methyl ester Formula: C17H15F3N4O6 MolecularWeight: 428.31941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N4O6/c1-30-15(25)7-8-22(12-5-3-2-4-6-12)21-16-13(23(26)27)9-11(17(18,19)20)10-14(16)24(28)29/h2-6,9-10,21H,7-8H2,1H3