3-[3-(8-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(8-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(8-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(8-nitro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(8-nitro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-8-nitro-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C=CC=C4[N+](=O)[O-])NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C=CC=C4[N+](=O)[O-])NC3=O

InChI

InChI=1S/C19H17N5O3.C2H4O2/c20-9-4-10-23-11-13(12-5-1-2-7-15(12)23)17-19(25)21-14-6-3-8-16(24(26)27)18(14)22-17;1-2(3)4/h1-3,5-8,11H,4,9-10,20H2,(H,21,25);1H3,(H,3,4)