9-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C21H21NO7/c1-2-28-17-10-11(9-12(21(17)25)22(26)27)18-19-13(23)5-3-7-15(19)29-16-8-4-6-14(24)20(16)18/h9-10,18,25H,2-8H2,1H3