6-[(E)-2-(4-morpholin-4-yl-3-nitro-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(4-morpholin-4-yl-3-nitro-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-morpholino-3-nitro-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-(4-morpholinyl)-3-nitrophenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-morpholin-4-yl-3-nitrophenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-(4-morpholino-3-nitro-phenyl)vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C16H14N5O7- MolecularWeight: 388.31166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O7/c22-15-14(21(26)27)11(17-16(23)18-15)3-1-10-2-4-12(13(9-10)20(24)25)19-5-7-28-8-6-19/h1-4,9H,5-8H2,(H2,17,18,22,23)/p-1/b3-1+