1-(6-bromanyl-2-methyl-3-nitro-4-oxidanyl-3,4-dihydrochromen-2-yl)propan-1-one

Systemtic Name: 1-(6-bromanyl-2-methyl-3-nitro-4-oxidanyl-3,4-dihydrochromen-2-yl)propan-1-one Openeye Name: 1-(6-bromo-4-hydroxy-2-methyl-3-nitro-chroman-2-yl)propan-1-one CAS Name: 1-(6-bromo-4-hydroxy-2-methyl-3-nitro-3,4-dihydro-2H-1-benzopyran-2-yl)-1-propanone IUPAC Name: 1-(6-bromo-4-hydroxy-2-methyl-3-nitro-3,4-dihydrochromen-2-yl)propan-1-one Traditional Name: 1-(6-bromo-4-hydroxy-2-methyl-3-nitro-chroman-2-yl)propan-1-one Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(C(C2=C(O1)C=CC(=C2)Br)O)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)C1(C(C(C2=C(O1)C=CC(=C2)Br)O)[N+](=O)[O-])C

InChI

InChI=1S/C13H14BrNO5/c1-3-10(16)13(2)12(15(18)19)11(17)8-6-7(14)4-5-9(8)20-13/h4-6,11-12,17H,3H2,1-2H3