2-(5,6-dimethyl-2,4-dinitro-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(5,6-dimethyl-2,4-dinitro-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5,6-dimethyl-2,4-dinitro-1H-indol-3-yl)acetic acid CAS Name: 2-(5,6-dimethyl-2,4-dinitro-1H-indol-3-yl)acetic acid IUPAC Name: 2-(5,6-dimethyl-2,4-dinitro-1H-indol-3-yl)acetic acid Traditional Name: 2-(5,6-dimethyl-2,4-dinitro-1H-indol-3-yl)acetic acid Formula: C12H11N3O6 MolecularWeight: 293.23224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N2)[N+](=O)[O-])CC(=O)O)C(=C1C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C(N2)[N+](=O)[O-])CC(=O)O)C(=C1C)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6/c1-5-3-8-10(11(6(5)2)14(18)19)7(4-9(16)17)12(13-8)15(20)21/h3,13H,4H2,1-2H3,(H,16,17)