1-(6-bromanyl-2-methyl-3-nitro-chromen-2-yl)propan-1-one

Systemtic Name: 1-(6-bromanyl-2-methyl-3-nitro-chromen-2-yl)propan-1-one Openeye Name: 1-(6-bromo-2-methyl-3-nitro-chromen-2-yl)propan-1-one CAS Name: 1-(6-bromo-2-methyl-3-nitro-1-benzopyran-2-yl)-1-propanone IUPAC Name: 1-(6-bromo-2-methyl-3-nitrochromen-2-yl)propan-1-one Traditional Name: 1-(6-bromo-2-methyl-3-nitro-chromen-2-yl)propan-1-one Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(=CC2=C(O1)C=CC(=C2)Br)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)C1(C(=CC2=C(O1)C=CC(=C2)Br)[N+](=O)[O-])C

InChI

InChI=1S/C13H12BrNO4/c1-3-12(16)13(2)11(15(17)18)7-8-6-9(14)4-5-10(8)19-13/h4-7H,3H2,1-2H3