(3E)-6-bromanyl-3-[7-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-ylidene]-5-nitro-1H-indol-2-one dihydrochloride

Systemtic Name: (3E)-6-bromanyl-3-[7-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-ylidene]-5-nitro-1H-indol-2-one dihydrochloride Openeye Name: (3E)-6-bromo-3-[7-(3-morpholinopropoxy)-1H-quinazolin-4-ylidene]-5-nitro-indolin-2-one dihydrochloride CAS Name: (3E)-6-bromo-3-[7-[3-(4-morpholinyl)propoxy]-1H-quinazolin-4-ylidene]-5-nitro-1H-indol-2-one dihydrochloride IUPAC Name: (3E)-6-bromo-3-[7-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-ylidene]-5-nitro-1H-indol-2-one dihydrochloride Traditional Name: (3E)-6-bromo-3-[7-(3-morpholinopropoxy)-1H-quinazolin-4-ylidene]-5-nitro-oxindole dihydrochloride Formula: C23H24BrCl2N5O5 MolecularWeight: 601.27716

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=CC3=C(C=C2)C(=C4C5=CC(=C(C=C5NC4=O)Br)[N+](=O)[O-])N=CN3.Cl.Cl

Isomeric SMILES

C1COCCN1CCCOC2=CC3=C(C=C2)/C(=C\4/C5=CC(=C(C=C5NC4=O)Br)[N+](=O)[O-])/N=CN3.Cl.Cl

InChI

InChI=1S/C23H22BrN5O5.2ClH/c24-17-12-19-16(11-20(17)29(31)32)21(23(30)27-19)22-15-3-2-14(10-18(15)25-13-26-22)34-7-1-4-28-5-8-33-9-6-28;;/h2-3,10-13H,1,4-9H2,(H,25,26)(H,27,30);2*1H/b22-21+;;