3-[5-methoxycarbonyl-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[5-methoxycarbonyl-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-methoxycarbonyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-methoxycarbonyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-methoxycarbonyl-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-carbomethoxy-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C23H23N5O7 MolecularWeight: 481.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O5.C2H4O2/c1-31-21(28)12-3-6-18-14(9-12)15(11-25(18)8-2-7-22)19-20(27)24-17-10-13(26(29)30)4-5-16(17)23-19;1-2(3)4/h3-6,9-11H,2,7-8,22H2,1H3,(H,24,27);1H3,(H,3,4)