(5Z)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: (5Z)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: (5Z)-1-tert-butyl-5-[(5-nitro-2-thienyl)methylene]-4,6-dioxo-pyrimidin-2-olate CAS Name: (5Z)-1-tert-butyl-5-[(5-nitro-2-thiophenyl)methylidene]-4,6-dioxo-2-pyrimidinolate IUPAC Name: (5Z)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-4,6-dioxopyrimidin-2-olate Traditional Name: (5Z)-1-tert-butyl-4,6-diketo-5-[(5-nitro-2-thienyl)methylene]pyrimidin-2-olate Formula: C13H12N3O5S- MolecularWeight: 322.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)N=C1[O-]

Isomeric SMILES

CC(C)(C)N1C(=O)/C(=C\C2=CC=C(S2)[N+](=O)[O-])/C(=O)N=C1[O-]

InChI

InChI=1S/C13H13N3O5S/c1-13(2,3)15-11(18)8(10(17)14-12(15)19)6-7-4-5-9(22-7)16(20)21/h4-6H,1-3H3,(H,14,17,19)/p-1/b8-6-