N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline

Systemtic Name: N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline Openeye Name: N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline CAS Name: N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline IUPAC Name: N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline Traditional Name: 2-chloroethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amine Formula: C24H26Cl2F6N6O8 MolecularWeight: 711.395059

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/2C12H13ClF3N3O4/c2*1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h2*6-7H,2-5H2,1H3