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

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]-6-nitro-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-6-nitro-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-6-nitroindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate Formula: C21H19Cl2N5O5 MolecularWeight: 492.31206

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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=CC(=C(C=C4NC3=O)Cl)Cl)CCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N5O3.C2H4O2/c20-13-7-15-16(8-14(13)21)24-19(27)18(23-15)12-9-25(5-1-4-22)17-6-10(26(28)29)2-3-11(12)17;1-2(3)4/h2-3,6-9H,1,4-5,22H2,(H,24,27);1H3,(H,3,4)