ethyl 2-[(4-bromanyl-3-nitro-phenyl)-oxidanyl-methyl]prop-2-enoate

Systemtic Name: ethyl 2-[(4-bromanyl-3-nitro-phenyl)-oxidanyl-methyl]prop-2-enoate Openeye Name: ethyl 2-[(4-bromo-3-nitro-phenyl)-hydroxy-methyl]prop-2-enoate CAS Name: 2-[(4-bromo-3-nitrophenyl)-hydroxymethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-3-nitrophenyl)-hydroxymethyl]prop-2-enoate Traditional Name: 2-[(4-bromo-3-nitro-phenyl)-hydroxy-methyl]acrylic acid ethyl ester Formula: C12H12BrNO5 MolecularWeight: 330.13138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO5/c1-3-19-12(16)7(2)11(15)8-4-5-9(13)10(6-8)14(17)18/h4-6,11,15H,2-3H2,1H3