[4-[(E)-[2-(furan-2-ylcarbonylamino)ethanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[(E)-[2-(furan-2-ylcarbonylamino)ethanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[2-[[2-furanyl(oxo)methyl]amino]-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(E)-[[2-(2-furoylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H16BrN3O5 MolecularWeight: 470.27284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CNC(=O)C3=CC=CO3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=CO3)Br

InChI

InChI=1S/C21H16BrN3O5/c22-17-5-2-1-4-16(17)21(28)30-15-9-7-14(8-10-15)12-24-25-19(26)13-23-20(27)18-6-3-11-29-18/h1-12H,13H2,(H,23,27)(H,25,26)/b24-12+