5-nitro-2-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(5-propyl-1,3,4-thiadiazol-2-yl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(5-propyl-1,3,4-thiadiazol-2-yl)isoindoline-1,3-quinone Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c1-2-3-10-14-15-13(22-10)16-11(18)8-5-4-7(17(20)21)6-9(8)12(16)19/h4-6H,2-3H2,1H3