2-(5-chloranyl-2-oxidanyl-phenyl)-6-morpholin-4-yl-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-6-morpholin-4-yl-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-6-morpholino-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-hydroxyphenyl)-6-(4-morpholinyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-6-morpholin-4-yl-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-6-morpholino-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H16ClN3O6 MolecularWeight: 453.83194

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)C5=C(C=CC(=C5)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)C5=C(C=CC(=C5)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O6/c23-12-4-5-18(27)16(10-12)25-21(28)14-3-1-2-13-19(14)15(22(25)29)11-17(26(30)31)20(13)24-6-8-32-9-7-24/h1-5,10-11,27H,6-9H2