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

Systemtic Name: 5-nitro-6-oxidanylidene-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[(E)-2-(4-propoxyphenyl)vinyl]-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[(E)-2-(4-propoxyphenyl)vinyl]-1H-pyrimidin-4-olate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H15N3O5/c1-2-9-23-11-6-3-10(4-7-11)5-8-12-16-14(19)13(18(21)22)15(20)17-12/h3-8H,2,9H2,1H3,(H2,16,17,19,20)/p-1/b8-5+