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

Systemtic Name: 3-[2-ethyl-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-ethyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-ethyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-ethyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[2-ethyl-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O.CC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O.CC(=O)[O-]

InChI

InChI=1S/C21H21N5O3.C2H4O2/c1-2-17-19(14-6-3-4-7-18(14)25(17)11-5-10-22)20-21(27)24-16-12-13(26(28)29)8-9-15(16)23-20;1-2(3)4/h3-4,6-9,12H,2,5,10-11,22H2,1H3,(H,24,27);1H3,(H,3,4)