[4-bromanyl-2-[3-(4-tert-butylphenoxy)-2-oxidanylidene-propanehydrazonoyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-bromanyl-2-[3-(4-tert-butylphenoxy)-2-oxidanylidene-propanehydrazonoyl]phenyl] furan-2-carboxylate Openeye Name: [4-bromo-2-[3-(4-tert-butylphenoxy)-2-oxo-propanehydrazonoyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-bromo-2-[(1E)-3-(4-tert-butylphenoxy)-1-hydrazinylidene-2-oxopropyl]phenyl] ester IUPAC Name: [4-bromo-2-[3-(4-tert-butylphenoxy)-2-oxopropanehydrazonoyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-bromo-2-[3-(4-tert-butylphenoxy)-2-keto-propanehydrazonoyl]phenyl] ester Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)C(=NN)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)/C(=N/N)/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3

InChI

InChI=1S/C24H23BrN2O5/c1-24(2,3)15-6-9-17(10-7-15)31-14-19(28)22(27-26)18-13-16(25)8-11-20(18)32-23(29)21-5-4-12-30-21/h4-13H,14,26H2,1-3H3/b27-22+