1-bromanyl-3,7,9-trinitro-benzo[b][1]benzoxepine

Systemtic Name: 1-bromanyl-3,7,9-trinitro-benzo[b][1]benzoxepine Openeye Name: 1-bromo-3,7,9-trinitro-benzo[b][1]benzoxepine CAS Name: 1-bromo-3,7,9-trinitrobenzo[b][1]benzoxepin IUPAC Name: 1-bromo-3,7,9-trinitrobenzo[b][1]benzoxepine Traditional Name: 1-bromo-3,7,9-trinitro-benzo[b][1]benzoxepin Formula: C14H6BrN3O7 MolecularWeight: 408.11734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2OC3=C(C=C(C=C31)[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C(C=C2OC3=C(C=C(C=C31)[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H6BrN3O7/c15-11-4-8(16(19)20)3-7-1-2-10-12(18(23)24)5-9(17(21)22)6-13(10)25-14(7)11/h1-6H