1-(2,4-dinitrophenyl)indole-5,6-diol; 1H-indole-5,6-diol

Systemtic Name: 1-(2,4-dinitrophenyl)indole-5,6-diol; 1H-indole-5,6-diol Openeye Name: 1-(2,4-dinitrophenyl)indole-5,6-diol; 1H-indole-5,6-diol CAS Name: 1-(2,4-dinitrophenyl)indole-5,6-diol; 1H-indole-5,6-diol IUPAC Name: 1-(2,4-dinitrophenyl)indole-5,6-diol; 1H-indole-5,6-diol Traditional Name: 1-(2,4-dinitrophenyl)indole-5,6-diol; 1H-indole-5,6-diol Formula: C22H16N4O8 MolecularWeight: 464.38444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=CC3=CC(=C(C=C32)O)O.C1=CNC2=CC(=C(C=C21)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=CC3=CC(=C(C=C32)O)O.C1=CNC2=CC(=C(C=C21)O)O

InChI

InChI=1S/C14H9N3O6.C8H7NO2/c18-13-5-8-3-4-15(11(8)7-14(13)19)10-2-1-9(16(20)21)6-12(10)17(22)23;10-7-3-5-1-2-9-6(5)4-8(7)11/h1-7,18-19H;1-4,9-11H