1-(6-bromanyl-2-ethyl-3-nitro-4-oxidanyl-3,4-dihydrochromen-2-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C2=C(O1)C=CC(=C2)Br)O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCC1(C(C(C2=C(O1)C=CC(=C2)Br)O)[N+](=O)[O-])C(=O)C

InChI

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