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

Systemtic Name: 3-chloranyl-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline Openeye Name: N-allyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 3-chloro-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline IUPAC Name: 3-chloro-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline Traditional Name: allyl-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C10H7ClF3N3O4 MolecularWeight: 325.62849

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H7ClF3N3O4/c1-2-3-15-8-6(16(18)19)4-5(10(12,13)14)7(11)9(8)17(20)21/h2,4,15H,1,3H2