N-ethyl-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline

Systemtic Name: N-ethyl-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline Openeye Name: N-allyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-ethyl-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline IUPAC Name: N-ethyl-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline Traditional Name: allyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amine Formula: C12H12F3N3O4 MolecularWeight: 319.23659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O4/c1-3-5-16(4-2)11-9(17(19)20)6-8(12(13,14)15)7-10(11)18(21)22/h3,6-7H,1,4-5H2,2H3