(E)-3-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)prop-2-enal

Systemtic Name: (E)-3-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)prop-2-enal Openeye Name: (E)-3-(3-bromo-2-hydroxy-5-nitro-phenyl)prop-2-enal CAS Name: (E)-3-(3-bromo-2-hydroxy-5-nitrophenyl)-2-propenal IUPAC Name: (E)-3-(3-bromo-2-hydroxy-5-nitrophenyl)prop-2-enal Traditional Name: (E)-3-(3-bromo-2-hydroxy-5-nitro-phenyl)acrolein Formula: C9H6BrNO4 MolecularWeight: 272.05224

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C=CC=O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)/C=C/C=O)[N+](=O)[O-]

InChI

InChI=1S/C9H6BrNO4/c10-8-5-7(11(14)15)4-6(9(8)13)2-1-3-12/h1-5,13H/b2-1+