N-[(Z)-(3-methyl-1-phenyl-butylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(Z)-(3-methyl-1-phenyl-butylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[(Z)-(3-methyl-1-phenyl-butylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[(Z)-(3-methyl-1-phenyl-butylidene)amino]amine Formula: C18H17F3N4O4 MolecularWeight: 410.34719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=NNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O4/c1-11(2)8-14(12-6-4-3-5-7-12)22-23-17-15(24(26)27)9-13(18(19,20)21)10-16(17)25(28)29/h3-7,9-11,23H,8H2,1-2H3/b22-14-