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

Systemtic Name: N-butan-2-yl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: 3-(3-methylphenoxy)-2,6-dinitro-N-sec-butyl-4-(trifluoromethyl)aniline CAS Name: N-butan-2-yl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-butan-2-yl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)phenyl]-sec-butyl-amine Formula: C18H18F3N3O5 MolecularWeight: 413.34783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O5/c1-4-11(3)22-15-14(23(25)26)9-13(18(19,20)21)17(16(15)24(27)28)29-12-7-5-6-10(2)8-12/h5-9,11,22H,4H2,1-3H3