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

Systemtic Name: [[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino] N-methylcarbamate; propane Openeye Name: [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] N-methylcarbamate; propane CAS Name: N-methylcarbamic acid [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] ester; propane IUPAC Name: [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] N-methylcarbamate; propane Traditional Name: N-methylcarbamic acid [2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino] ester; n-propane Formula: C15H21F3N4O6 MolecularWeight: 410.34565

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N4O6.C3H8/c1-3-4-17(25-11(20)16-2)10-8(18(21)22)5-7(12(13,14)15)6-9(10)19(23)24;1-3-2/h5-6H,3-4H2,1-2H3,(H,16,20);3H2,1-2H3