2-[(E)-4-azanyl-5-bromanyl-pent-1-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-azanyl-5-bromanyl-pent-1-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-amino-5-bromo-pent-1-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-amino-5-bromopent-1-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-amino-5-bromopent-1-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-amino-5-bromo-pent-1-enyl]isoindoline-1,3-quinone Formula: C13H13BrN2O2 MolecularWeight: 309.15852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C=CCC(CBr)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)/C=C/CC(CBr)N

InChI

InChI=1S/C13H13BrN2O2/c14-8-9(15)4-3-7-16-12(17)10-5-1-2-6-11(10)13(16)18/h1-3,5-7,9H,4,8,15H2/b7-3+