3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-5-(trifluoromethyl)aniline

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-5-(trifluoromethyl)aniline Openeye Name: N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-5-(trifluoromethyl)aniline CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-5-(trifluoromethyl)aniline IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-5-(trifluoromethyl)aniline Traditional Name: [3,4-dimethyl-2,6-dinitro-5-(trifluoromethyl)phenyl]-(1-ethylpropyl)amine Formula: C14H18F3N3O4 MolecularWeight: 349.30563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N3O4/c1-5-9(6-2)18-11-12(19(21)22)8(4)7(3)10(14(15,16)17)13(11)20(23)24/h9,18H,5-6H2,1-4H3