6-(4-bromophenyl)-3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]oxane-2,4-dione

Systemtic Name: 6-(4-bromophenyl)-3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]oxane-2,4-dione Openeye Name: 6-(4-bromophenyl)-3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]tetrahydropyran-2,4-dione CAS Name: 6-(4-bromophenyl)-3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]oxane-2,4-dione IUPAC Name: 6-(4-bromophenyl)-3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]oxane-2,4-dione Traditional Name: 6-(4-bromophenyl)-3-[2-keto-2-(4-nitrophenyl)ethyl]-3,5,5-trimethyl-tetrahydropyran-2,4-quinone Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C(C1=O)(C)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(C(OC(=O)C(C1=O)(C)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H20BrNO6/c1-21(2)18(14-4-8-15(23)9-5-14)30-20(27)22(3,19(21)26)12-17(25)13-6-10-16(11-7-13)24(28)29/h4-11,18H,12H2,1-3H3