3-(1-bromanylpropan-2-yloxy)-4-chloranyl-7-nitro-isochromen-1-one

Systemtic Name: 3-(1-bromanylpropan-2-yloxy)-4-chloranyl-7-nitro-isochromen-1-one Openeye Name: 3-(2-bromo-1-methyl-ethoxy)-4-chloro-7-nitro-isochromen-1-one CAS Name: 3-(1-bromopropan-2-yloxy)-4-chloro-7-nitro-2-benzopyran-1-one IUPAC Name: 3-(1-bromopropan-2-yloxy)-4-chloro-7-nitroisochromen-1-one Traditional Name: 3-(2-bromo-1-methyl-ethoxy)-4-chloro-7-nitro-isocoumarin Formula: C12H9BrClNO5 MolecularWeight: 362.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CBr)OC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl

Isomeric SMILES

CC(CBr)OC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl

InChI

InChI=1S/C12H9BrClNO5/c1-6(5-13)19-12-10(14)8-3-2-7(15(17)18)4-9(8)11(16)20-12/h2-4,6H,5H2,1H3