3-chloranyl-2,6-dinitro-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)aniline

Systemtic Name: 3-chloranyl-2,6-dinitro-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)aniline Openeye Name: 3-chloro-N-(3-isopropoxypropyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 3-chloro-2,6-dinitro-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)aniline IUPAC Name: 3-chloro-2,6-dinitro-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)aniline Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(3-isopropoxypropyl)amine Formula: C13H15ClF3N3O5 MolecularWeight: 385.72351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClF3N3O5/c1-7(2)25-5-3-4-18-11-9(19(21)22)6-8(13(15,16)17)10(14)12(11)20(23)24/h6-7,18H,3-5H2,1-2H3