2-[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-6-oxidanyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-6-oxidanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one CAS Name: 2-[2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-[2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C2NC(=C(C(=O)N2)[N+](=O)[O-])O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C2NC(=C(C(=O)N2)[N+](=O)[O-])O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H25N3O5/c1-19(2,3)12-9-11(10-13(16(12)24)20(4,5)6)7-8-14-21-17(25)15(23(27)28)18(26)22-14/h7-10,21,25H,1-6H3,(H,22,26)