6-[(E)-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-[(2S)-2-methylcoumaran-5-yl]vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C15H12N3O5- MolecularWeight: 314.27288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5/c1-8-6-10-7-9(3-5-12(10)23-8)2-4-11-13(18(21)22)14(19)17-15(20)16-11/h2-5,7-8H,6H2,1H3,(H2,16,17,19,20)/p-1/b4-2+/t8-/m0/s1