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

Systemtic Name: 3-[3-(4,5-dimethyl-3-oxidanylidene-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(4,5-dimethyl-3-oxo-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(4,5-dimethyl-3-oxo-2-quinoxalinyl)-6-nitro-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(4,5-dimethyl-3-oxoquinoxalin-2-yl)-6-nitroindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-4,5-dimethyl-quinoxalin-2-yl)-6-nitro-indol-1-yl]propylammonium acetate Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(C(=O)N2C)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=O)N2C)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C21H21N5O3.C2H4O2/c1-13-5-3-6-17-20(13)24(2)21(27)19(23-17)16-12-25(10-4-9-22)18-11-14(26(28)29)7-8-15(16)18;1-2(3)4/h3,5-8,11-12H,4,9-10,22H2,1-2H3;1H3,(H,3,4)