3-ethyl-7,9-dinitro-benzo[b][1]benzoxepine

Systemtic Name: 3-ethyl-7,9-dinitro-benzo[b][1]benzoxepine Openeye Name: 3-ethyl-7,9-dinitro-benzo[b][1]benzoxepine CAS Name: 3-ethyl-7,9-dinitrobenzo[b][1]benzoxepin IUPAC Name: 3-ethyl-7,9-dinitrobenzo[b][1]benzoxepine Traditional Name: 3-ethyl-7,9-dinitro-benzo[b][1]benzoxepin Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=CC(=CC(=C3C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=CC(=CC(=C3C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c1-2-10-3-6-15-11(7-10)4-5-13-14(18(21)22)8-12(17(19)20)9-16(13)23-15/h3-9H,2H2,1H3