6-(3-bromanylpropyl)-7,8,9-trimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione

Systemtic Name: 6-(3-bromanylpropyl)-7,8,9-trimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione Openeye Name: 6-(3-bromopropyl)-7,8,9-trimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione CAS Name: 6-(3-bromopropyl)-7,8,9-trimethoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione IUPAC Name: 6-(3-bromopropyl)-7,8,9-trimethoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione Traditional Name: 6-(3-bromopropyl)-7,8,9-trimethoxy-3-nitro-inden[1,2-c]isoquinoline-5,11-quinone Formula: C22H19BrN2O7 MolecularWeight: 503.29946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC)OC

InChI

InChI=1S/C22H19BrN2O7/c1-30-15-10-14-17(21(32-3)20(15)31-2)18-16(19(14)26)12-6-5-11(25(28)29)9-13(12)22(27)24(18)8-4-7-23/h5-6,9-10H,4,7-8H2,1-3H3