5-(2-bromoethyl)-8-nitro-2,3,4,5-tetrahydro-1-benzoxepine

Systemtic Name: 5-(2-bromoethyl)-8-nitro-2,3,4,5-tetrahydro-1-benzoxepine Openeye Name: 5-(2-bromoethyl)-8-nitro-2,3,4,5-tetrahydro-1-benzoxepine CAS Name: 5-(2-bromoethyl)-8-nitro-2,3,4,5-tetrahydro-1-benzoxepin IUPAC Name: 5-(2-bromoethyl)-8-nitro-2,3,4,5-tetrahydro-1-benzoxepine Traditional Name: 5-(2-bromoethyl)-8-nitro-2,3,4,5-tetrahydro-1-benzoxepin Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)[N+](=O)[O-])OC1)CCBr

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)[N+](=O)[O-])OC1)CCBr

InChI

InChI=1S/C12H14BrNO3/c13-6-5-9-2-1-7-17-12-8-10(14(15)16)3-4-11(9)12/h3-4,8-9H,1-2,5-7H2