2,6-ditert-butyl-4-methyl-4-(1-nitropropan-2-yl)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-methyl-4-(1-nitropropan-2-yl)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-methyl-4-(1-methyl-2-nitro-ethyl)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-methyl-4-(1-nitropropan-2-yl)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-methyl-4-(1-nitropropan-2-yl)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-methyl-4-(1-methyl-2-nitro-ethyl)cyclohexa-2,5-dien-1-one Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](=O)[O-])C1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC(C[N+](=O)[O-])C1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C18H29NO3/c1-12(11-19(21)22)18(8)9-13(16(2,3)4)15(20)14(10-18)17(5,6)7/h9-10,12H,11H2,1-8H3