(E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-(2-thienyl)prop-2-en-1-one Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C=CC2=CC=CS2

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C19H20N2O5S/c1-11-15(14(22)9-8-13-7-6-10-27-13)12(2)18(21(25)26)16(19(3,4)5)17(11)20(23)24/h6-10H,1-5H3/b9-8+