1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-propyl-urea

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-propyl-urea Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-propyl-urea CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-propylurea IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-propylurea Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-propyl-urea Formula: C11H11F3N4O5 MolecularWeight: 336.22405

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11F3N4O5/c1-2-3-15-10(19)16-9-7(17(20)21)4-6(11(12,13)14)5-8(9)18(22)23/h4-5H,2-3H2,1H3,(H2,15,16,19)