5-nitro-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]isoindoline-1,3-quinone Formula: C18H13N5O5 MolecularWeight: 379.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C18H13N5O5/c24-17-13-4-3-12(23(26)27)10-14(13)18(25)22(17)9-1-2-15-20-16(21-28-15)11-5-7-19-8-6-11/h3-8,10H,1-2,9H2