3-butyl-4-iodanyl-5-nitro-isochromen-1-one

Systemtic Name: 3-butyl-4-iodanyl-5-nitro-isochromen-1-one Openeye Name: 3-butyl-4-iodo-5-nitro-isochromen-1-one CAS Name: 3-butyl-4-iodo-5-nitro-2-benzopyran-1-one IUPAC Name: 3-butyl-4-iodo-5-nitroisochromen-1-one Traditional Name: 3-butyl-4-iodo-5-nitro-isocoumarin Formula: C13H12INO4 MolecularWeight: 373.14315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2[N+](=O)[O-])C(=O)O1)I

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2[N+](=O)[O-])C(=O)O1)I

InChI

InChI=1S/C13H12INO4/c1-2-3-7-10-12(14)11-8(13(16)19-10)5-4-6-9(11)15(17)18/h4-6H,2-3,7H2,1H3