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

Systemtic Name: 4-nitro-2-(5-nitro-1,3-thiazol-2-yl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(5-nitrothiazol-2-yl)isoindoline-1,3-dione CAS Name: 4-nitro-2-(5-nitro-2-thiazolyl)isoindole-1,3-dione IUPAC Name: 4-nitro-2-(5-nitro-1,3-thiazol-2-yl)isoindole-1,3-dione Traditional Name: 4-nitro-2-(5-nitrothiazol-2-yl)isoindoline-1,3-quinone Formula: C11H4N4O6S MolecularWeight: 320.23766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C11H4N4O6S/c16-9-5-2-1-3-6(14(18)19)8(5)10(17)13(9)11-12-4-7(22-11)15(20)21/h1-4H