[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino] 2-chloranylethanoate; propane

Systemtic Name: [[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino] 2-chloranylethanoate; propane Openeye Name: [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] 2-chloroacetate; propane CAS Name: 2-chloroacetic acid [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] ester; propane IUPAC Name: [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] 2-chloroacetate; propane Traditional Name: 2-chloroacetic acid [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] ester; n-propane Formula: C15H19ClF3N3O6 MolecularWeight: 429.77607

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCCN(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC(=O)CCl

Isomeric SMILES

CCC.CCCN(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC(=O)CCl

InChI

InChI=1S/C12H11ClF3N3O6.C3H8/c1-2-3-17(25-10(20)6-13)11-8(18(21)22)4-7(12(14,15)16)5-9(11)19(23)24;1-3-2/h4-5H,2-3,6H2,1H3;3H2,1-2H3