3-(5,6-dihydro-4H-pyrimidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-(5,6-dihydro-4H-pyrimidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 3-(5,6-dihydro-4H-pyrimidin-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one CAS Name: 3-(5,6-dihydro-4H-pyrimidin-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone IUPAC Name: 3-(5,6-dihydro-4H-pyrimidin-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one Traditional Name: 3-(5,6-dihydro-4H-pyrimidin-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=CN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN=CN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5/c17-11(2-5-15-4-1-3-14-8-15)9-6-10(16(20)21)13(19)12(18)7-9/h6-8,18-19H,1-5H2