3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyl-oxane-2,4-dione

Systemtic Name: 3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyl-oxane-2,4-dione Openeye Name: 3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyl-tetrahydropyran-2,4-dione CAS Name: 3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyloxane-2,4-dione IUPAC Name: 3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyloxane-2,4-dione Traditional Name: 3,5,5-trimethyl-3-(4-nitrobenzyl)-6-phenyl-tetrahydropyran-2,4-quinone Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C(C1=O)(C)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(OC(=O)C(C1=O)(C)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C21H21NO5/c1-20(2)17(15-7-5-4-6-8-15)27-19(24)21(3,18(20)23)13-14-9-11-16(12-10-14)22(25)26/h4-12,17H,13H2,1-3H3