3-(cyclopropylmethyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: 3-(cyclopropylmethyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: 3-(cyclopropylmethyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 3-(cyclopropylmethyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: 3-(cyclopropylmethyl)-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [3-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amine Formula: C13H14F3N3O4 MolecularWeight: 333.26317

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C(=C1[N+](=O)[O-])CC2CC2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C(=C1[N+](=O)[O-])CC2CC2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14F3N3O4/c1-2-17-11-10(18(20)21)6-9(13(14,15)16)8(5-7-3-4-7)12(11)19(22)23/h6-7,17H,2-5H2,1H3