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

Systemtic Name: 6-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-morpholinophenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-(4-morpholinyl)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-(4-morpholinophenyl)vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C16H15N4O5- MolecularWeight: 343.3141

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c21-15-14(20(23)24)13(17-16(22)18-15)6-3-11-1-4-12(5-2-11)19-7-9-25-10-8-19/h1-6H,7-10H2,(H2,17,18,21,22)/p-1/b6-3+