5-nitro-1-pentyl-indole-2,3-dione

Systemtic Name: 5-nitro-1-pentyl-indole-2,3-dione Openeye Name: 5-nitro-1-pentyl-indoline-2,3-dione CAS Name: 5-nitro-1-pentylindole-2,3-dione IUPAC Name: 5-nitro-1-pentylindole-2,3-dione Traditional Name: 1-amyl-5-nitro-isatin Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

InChI

InChI=1S/C13H14N2O4/c1-2-3-4-7-14-11-6-5-9(15(18)19)8-10(11)12(16)13(14)17/h5-6,8H,2-4,7H2,1H3