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

Systemtic Name: 2-(1-oxidanylbutylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(2,4,6-trimethyl-3-nitro-phenyl)cyclohexane-1,3-quinone Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5/c1-5-6-14(21)18-15(22)8-13(9-16(18)23)17-10(2)7-11(3)19(12(17)4)20(24)25/h7,13,21H,5-6,8-9H2,1-4H3