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

Systemtic Name: 3-[6-nitro-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-nitro-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[6-nitro-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[6-nitro-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-6-nitro-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate Formula: C21H20N6O7 MolecularWeight: 468.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C=C1[N+](=O)[O-])N(C=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C=C1[N+](=O)[O-])N(C=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)CCC[NH3+]

InChI

InChI=1S/C19H16N6O5.C2H4O2/c20-6-1-7-23-10-14(13-4-2-12(25(29)30)9-17(13)23)18-19(26)22-16-8-11(24(27)28)3-5-15(16)21-18;1-2(3)4/h2-5,8-10H,1,6-7,20H2,(H,22,26);1H3,(H,3,4)