3-(3-bromanylpropoxy)-4-chloranyl-7-nitro-isochromen-1-one

Systemtic Name: 3-(3-bromanylpropoxy)-4-chloranyl-7-nitro-isochromen-1-one Openeye Name: 3-(3-bromopropoxy)-4-chloro-7-nitro-isochromen-1-one CAS Name: 3-(3-bromopropoxy)-4-chloro-7-nitro-2-benzopyran-1-one IUPAC Name: 3-(3-bromopropoxy)-4-chloro-7-nitroisochromen-1-one Traditional Name: 3-(3-bromopropoxy)-4-chloro-7-nitro-isocoumarin Formula: C12H9BrClNO5 MolecularWeight: 362.56056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=C2Cl)OCCCBr

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=C2Cl)OCCCBr

InChI

InChI=1S/C12H9BrClNO5/c13-4-1-5-19-12-10(14)8-3-2-7(15(17)18)6-9(8)11(16)20-12/h2-3,6H,1,4-5H2