2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)ethyl]isoindoline-1,3-quinone Formula: C12H8BrN5O4 MolecularWeight: 366.12702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C12H8BrN5O4/c13-11-14-12(18(21)22)15-17(11)6-5-16-9(19)7-3-1-2-4-8(7)10(16)20/h1-4H,5-6H2