N-butan-2-yl-3-(4-chloranylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-butan-2-yl-3-(4-chloranylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: 3-(4-chlorophenoxy)-2,6-dinitro-N-sec-butyl-4-(trifluoromethyl)aniline CAS Name: N-butan-2-yl-3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-butan-2-yl-3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)phenyl]-sec-butyl-amine Formula: C17H15ClF3N3O5 MolecularWeight: 433.76631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClF3N3O5/c1-3-9(2)22-14-13(23(25)26)8-12(17(19,20)21)16(15(14)24(27)28)29-11-6-4-10(18)5-7-11/h4-9,22H,3H2,1-2H3