2-[(E)-2-[(4aR,8aS)-4-oxidanylidene-4a,8a-dihydrochromen-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-[(4aR,8aS)-4-oxidanylidene-4a,8a-dihydrochromen-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[(4aR,8aS)-4-oxo-4a,8a-dihydrochromen-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[(4aR,8aS)-4-oxo-4a,8a-dihydro-1-benzopyran-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[(4aR,8aS)-4-oxo-4a,8a-dihydrochromen-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[(4aR,8aS)-4-keto-4a,8a-dihydrochromen-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C15H11N3O6 MolecularWeight: 329.26434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)OC=C(C2=O)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1=C[C@@H]2[C@H](C=C1)OC=C(C2=O)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C15H11N3O6/c19-13-8(7-24-10-4-2-1-3-9(10)13)5-6-11-16-14(20)12(18(22)23)15(21)17-11/h1-7,9-10H,(H2,16,17,20,21)/b6-5+/t9-,10+/m1/s1