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

Systemtic Name: 4-nitro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]isoindoline-1,3-quinone Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NOC(=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5/c1-2-4-10-15-11(23-16-10)7-17-13(19)8-5-3-6-9(18(21)22)12(8)14(17)20/h3,5-6H,2,4,7H2,1H3