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

Systemtic Name: 3-[2-methyl-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-methyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-methyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-methyl-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)-2-methyl-indol-1-yl]propylammonium acetate Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O.CC(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O.CC(=O)[O-]

InChI

InChI=1S/C20H19N5O3.C2H4O2/c1-12-18(14-5-2-3-6-17(14)24(12)10-4-9-21)19-20(26)23-16-11-13(25(27)28)7-8-15(16)22-19;1-2(3)4/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,23,26);1H3,(H,3,4)