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

Systemtic Name: 3-[3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-6-nitro-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-6-nitroindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-5-methyl-4H-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCC[NH3+].CC(=O)[O-]

InChI

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