[(Z)-4-(5-bromanyl-2-nitro-phenoxy)but-2-enyl] propanoate

Systemtic Name: [(Z)-4-(5-bromanyl-2-nitro-phenoxy)but-2-enyl] propanoate Openeye Name: [(Z)-4-(5-bromo-2-nitro-phenoxy)but-2-enyl] propanoate CAS Name: propanoic acid [(Z)-4-(5-bromo-2-nitrophenoxy)but-2-enyl] ester IUPAC Name: [(Z)-4-(5-bromo-2-nitrophenoxy)but-2-enyl] propanoate Traditional Name: propionic acid [(Z)-4-(5-bromo-2-nitro-phenoxy)but-2-enyl] ester Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC=CCOC1=C(C=CC(=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC/C=C\COC1=C(C=CC(=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrNO5/c1-2-13(16)20-8-4-3-7-19-12-9-10(14)5-6-11(12)15(17)18/h3-6,9H,2,7-8H2,1H3/b4-3-