tert-butyl 2-(5-bromanyl-2-nitro-phenyl)prop-2-enoate

Systemtic Name: tert-butyl 2-(5-bromanyl-2-nitro-phenyl)prop-2-enoate Openeye Name: tert-butyl 2-(5-bromo-2-nitro-phenyl)prop-2-enoate CAS Name: 2-(5-bromo-2-nitrophenyl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-bromo-2-nitrophenyl)prop-2-enoate Traditional Name: 2-(5-bromo-2-nitro-phenyl)acrylic acid tert-butyl ester Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-8(12(16)19-13(2,3)4)10-7-9(14)5-6-11(10)15(17)18/h5-7H,1H2,2-4H3