5-nitro-4-oxidanylidene-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidin-2-olate

Systemtic Name: 5-nitro-4-oxidanylidene-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidin-2-olate Openeye Name: 5-nitro-4-oxo-6-[(E)-2-(3-prop-2-ynoxyphenyl)vinyl]-1H-pyrimidin-2-olate CAS Name: 5-nitro-4-oxo-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidin-2-olate IUPAC Name: 5-nitro-4-oxo-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidin-2-olate Traditional Name: 4-keto-5-nitro-6-[(E)-2-(3-propargyloxyphenyl)vinyl]-1H-pyrimidin-2-olate Formula: C15H10N3O5- MolecularWeight: 312.257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=CC=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5/c1-2-8-23-11-5-3-4-10(9-11)6-7-12-13(18(21)22)14(19)17-15(20)16-12/h1,3-7,9H,8H2,(H2,16,17,19,20)/p-1/b7-6+