1-but-3-ynyl-5-nitro-indole-2,3-dione

Systemtic Name: 1-but-3-ynyl-5-nitro-indole-2,3-dione Openeye Name: 1-but-3-ynyl-5-nitro-indoline-2,3-dione CAS Name: 1-but-3-ynyl-5-nitroindole-2,3-dione IUPAC Name: 1-but-3-ynyl-5-nitroindole-2,3-dione Traditional Name: 1-but-3-ynyl-5-nitro-isatin Formula: C12H8N2O4 MolecularWeight: 244.20292

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

Isomeric SMILES

C#CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

InChI

InChI=1S/C12H8N2O4/c1-2-3-6-13-10-5-4-8(14(17)18)7-9(10)11(15)12(13)16/h1,4-5,7H,3,6H2