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

Systemtic Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C21H21N3O7 MolecularWeight: 427.40734

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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(=CC=C2)[N+](=O)[O-]

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(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-12-17(16(25)10-9-14-7-6-8-15(11-14)22(26)27)13(2)20(24(30)31)18(21(3,4)5)19(12)23(28)29/h6-11H,1-5H3/b10-9+