3-[3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-benzyloxy-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[6-benzoxy-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C28H27N5O6 MolecularWeight: 529.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCC[NH3+])C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCC[NH3+])C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O

InChI

InChI=1S/C26H23N5O4.C2H4O2/c27-11-4-12-30-15-21(25-26(32)29-23-13-18(31(33)34)7-10-22(23)28-25)20-9-8-19(14-24(20)30)35-16-17-5-2-1-3-6-17;1-2(3)4/h1-3,5-10,13-15H,4,11-12,16,27H2,(H,29,32);1H3,(H,3,4)