8-bromanyl-2-nitro-benzo[b][1]benzoxepine-3-carboxylate

Systemtic Name: 8-bromanyl-2-nitro-benzo[b][1]benzoxepine-3-carboxylate Openeye Name: 8-bromo-2-nitro-benzo[b][1]benzoxepine-3-carboxylate CAS Name: 8-bromo-2-nitro-3-benzo[b][1]benzoxepincarboxylate IUPAC Name: 8-bromo-2-nitrobenzo[b][1]benzoxepine-3-carboxylate Traditional Name: 8-bromo-2-nitro-benzo[b][1]benzoxepin-3-carboxylate Formula: C15H7BrNO5- MolecularWeight: 361.12378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)Br)OC3=CC(=C(C=C31)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)Br)OC3=CC(=C(C=C31)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H8BrNO5/c16-10-3-4-13-8(5-10)1-2-9-6-11(15(18)19)12(17(20)21)7-14(9)22-13/h1-7H,(H,18,19)/p-1