2-(3,5-dinitro-2-oxidanyl-phenyl)-5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one

Systemtic Name: 2-(3,5-dinitro-2-oxidanyl-phenyl)-5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one Openeye Name: 2-(2-hydroxy-3,5-dinitro-phenyl)-5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one CAS Name: 2-(2-hydroxy-3,5-dinitrophenyl)-5,5-dimethyl-3-(methylamino)-1-cyclohex-2-enone IUPAC Name: 2-(2-hydroxy-3,5-dinitrophenyl)-5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one Traditional Name: 2-(2-hydroxy-3,5-dinitro-phenyl)-5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])NC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])NC)C

InChI

InChI=1S/C15H17N3O6/c1-15(2)6-10(16-3)13(12(19)7-15)9-4-8(17(21)22)5-11(14(9)20)18(23)24/h4-5,16,20H,6-7H2,1-3H3