3-bromanyl-5-[(E)-2-nitroprop-1-enyl]benzene-1,2-diol

Systemtic Name: 3-bromanyl-5-[(E)-2-nitroprop-1-enyl]benzene-1,2-diol Openeye Name: 3-bromo-5-[(E)-2-nitroprop-1-enyl]benzene-1,2-diol CAS Name: 3-bromo-5-[(E)-2-nitroprop-1-enyl]benzene-1,2-diol IUPAC Name: 3-bromo-5-[(E)-2-nitroprop-1-enyl]benzene-1,2-diol Traditional Name: 3-bromo-5-[(E)-2-nitroprop-1-enyl]pyrocatechol Formula: C9H8BrNO4 MolecularWeight: 274.06812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C(=C1)Br)O)O)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC(=C(C(=C1)Br)O)O)/[N+](=O)[O-]

InChI

InChI=1S/C9H8BrNO4/c1-5(11(14)15)2-6-3-7(10)9(13)8(12)4-6/h2-4,12-13H,1H3/b5-2+