3-[3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]-5-methoxycarbonyl-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]-5-methoxycarbonyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-5-methoxycarbonyl-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-5-methoxycarbonyl-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-5-methoxycarbonylindol-1-yl]propylazanium acetate Traditional Name: 3-[5-carbomethoxy-3-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C23H22Cl2N4O5 MolecularWeight: 505.35058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=CC(=C(C=C4NC3=O)Cl)Cl)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=CC(=C(C=C4NC3=O)Cl)Cl)CCC[NH3+]

InChI

InChI=1S/C21H18Cl2N4O3.C2H4O2/c1-30-21(29)11-3-4-18-12(7-11)13(10-27(18)6-2-5-24)19-20(28)26-17-9-15(23)14(22)8-16(17)25-19;1-2(3)4/h3-4,7-10H,2,5-6,24H2,1H3,(H,26,28);1H3,(H,3,4)