6-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-tert-butylphenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-tert-butylphenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H16N3O4- MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-16(2,3)11-7-4-10(5-8-11)6-9-12-13(19(22)23)14(20)18-15(21)17-12/h4-9H,1-3H3,(H2,17,18,20,21)/p-1/b9-6+