1-(2-methylpropyl)-5-nitro-indole-2,3-dione

Systemtic Name: 1-(2-methylpropyl)-5-nitro-indole-2,3-dione Openeye Name: 1-isobutyl-5-nitro-indoline-2,3-dione CAS Name: 1-(2-methylpropyl)-5-nitroindole-2,3-dione IUPAC Name: 1-(2-methylpropyl)-5-nitroindole-2,3-dione Traditional Name: 1-isobutyl-5-nitro-isatin Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

InChI

InChI=1S/C12H12N2O4/c1-7(2)6-13-10-4-3-8(14(17)18)5-9(10)11(15)12(13)16/h3-5,7H,6H2,1-2H3