7,9-dimethoxy-3-nitro-5H-benzo[b][1]benzoxepin-6-one

Systemtic Name: 7,9-dimethoxy-3-nitro-5H-benzo[b][1]benzoxepin-6-one Openeye Name: 7,9-dimethoxy-3-nitro-5H-benzo[b][1]benzoxepin-6-one CAS Name: 7,9-dimethoxy-3-nitro-5H-benzo[b][1]benzoxepin-6-one IUPAC Name: 7,9-dimethoxy-3-nitro-5H-benzo[b][1]benzoxepin-6-one Traditional Name: 7,9-dimethoxy-3-nitro-5H-benzo[b][1]benzoxepin-6-one Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=O)CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=C1)OC

Isomeric SMILES

COC1=CC(=C2C(=O)CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=C1)OC

InChI

InChI=1S/C16H13NO6/c1-21-11-7-14(22-2)16-12(18)6-9-5-10(17(19)20)3-4-13(9)23-15(16)8-11/h3-5,7-8H,6H2,1-2H3