1,3-bis(chloranyl)-9-nitro-benzo[b][1]benzoxepine-7-carboxylate

Systemtic Name: 1,3-bis(chloranyl)-9-nitro-benzo[b][1]benzoxepine-7-carboxylate Openeye Name: 1,3-dichloro-9-nitro-benzo[b][1]benzoxepine-7-carboxylate CAS Name: 1,3-dichloro-9-nitro-7-benzo[b][1]benzoxepincarboxylate IUPAC Name: 1,3-dichloro-9-nitrobenzo[b][1]benzoxepine-7-carboxylate Traditional Name: 1,3-dichloro-9-nitro-benzo[b][1]benzoxepin-7-carboxylate Formula: C15H6Cl2NO5- MolecularWeight: 351.11784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C31)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C31)Cl)Cl

InChI

InChI=1S/C15H7Cl2NO5/c16-8-3-7-1-2-10-11(15(19)20)5-9(18(21)22)6-13(10)23-14(7)12(17)4-8/h1-6H,(H,19,20)/p-1