2-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(2,4-dioxo-1H-pyrimidin-5-yl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(2,4-dioxo-1H-pyrimidin-5-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(2,4-dioxo-1H-pyrimidin-5-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(2,4-diketo-1H-pyrimidin-5-yl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C18H10N4O7 MolecularWeight: 394.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CNC(=O)NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CNC(=O)NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O7/c23-15-14(8-19-18(26)20-15)21-16(24)12-5-4-11(7-13(12)17(21)25)29-10-3-1-2-9(6-10)22(27)28/h1-8H,(H2,19,20,23,26)