3-[3-(7-methoxy-3-oxidanylidene-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(7-methoxy-3-oxidanylidene-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-6-nitro-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-6-nitroindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-7-methoxy-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].COC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCC[NH3+]

InChI

InChI=1S/C20H19N5O4.C2H4O2/c1-29-13-4-6-16-17(10-13)22-19(20(26)23-16)15-11-24(8-2-7-21)18-9-12(25(27)28)3-5-14(15)18;1-2(3)4/h3-6,9-11H,2,7-8,21H2,1H3,(H,23,26);1H3,(H,3,4)