[2-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [2-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]phenyl] ester Formula: C23H14BrNO3 MolecularWeight: 432.26616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C23H14BrNO3/c24-20-12-10-17(11-13-20)23(27)28-21-9-5-4-8-18(21)14-19(15-25)22(26)16-6-2-1-3-7-16/h1-14H/b19-14+