[4-[(E)-(2-phenylazanylethanoylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-(2-phenylazanylethanoylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[(2-anilinoacetyl)hydrazono]methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[(2-anilino-1-oxoethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-anilinoacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[(2-anilinoacetyl)hydrazono]methyl]phenyl] ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O3/c23-18-6-4-5-17(13-18)22(28)29-20-11-9-16(10-12-20)14-25-26-21(27)15-24-19-7-2-1-3-8-19/h1-14,24H,15H2,(H,26,27)/b25-14+