2-(1-oxidanylpropylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylpropylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-quinone Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)[N+](=O)[O-])C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)[N+](=O)[O-])C)O

InChI

InChI=1S/C18H21NO5/c1-5-13(20)17-14(21)7-12(8-15(17)22)16-9(2)6-10(3)18(11(16)4)19(23)24/h6,12,20H,5,7-8H2,1-4H3