6-(3-bromanylpropyl)-8,9-dimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione

Systemtic Name: 6-(3-bromanylpropyl)-8,9-dimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione Openeye Name: 6-(3-bromopropyl)-8,9-dimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione CAS Name: 6-(3-bromopropyl)-8,9-dimethoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione IUPAC Name: 6-(3-bromopropyl)-8,9-dimethoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione Traditional Name: 6-(3-bromopropyl)-8,9-dimethoxy-3-nitro-inden[1,2-c]isoquinoline-5,11-quinone Formula: C21H17BrN2O6 MolecularWeight: 473.27348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC

InChI

InChI=1S/C21H17BrN2O6/c1-29-16-9-13-14(10-17(16)30-2)20(25)18-12-5-4-11(24(27)28)8-15(12)21(26)23(19(13)18)7-3-6-22/h4-5,8-10H,3,6-7H2,1-2H3