(phenylmethyl) (NE)-N-[[(4-bromophenyl)amino]-(2-phenylmethoxycarbonylhydrazinyl)methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[[(4-bromophenyl)amino]-(2-phenylmethoxycarbonylhydrazinyl)methylidene]carbamate Openeye Name: benzyl N-[[(E)-N'-benzyloxycarbonyl-N-(4-bromophenyl)carbamimidoyl]amino]carbamate CAS Name: (NE)-N-[(4-bromoanilino)-(phenylmethoxycarbonylhydrazo)methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[(4-bromoanilino)-(2-phenylmethoxycarbonylhydrazinyl)methylidene]carbamate Traditional Name: (NE)-N-[(4-bromoanilino)-(N'-carbobenzoxyhydrazino)methylene]carbamic acid benzyl ester Formula: C23H21BrN4O4 MolecularWeight: 497.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NNC(=NC(=O)OCC2=CC=CC=C2)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NN/C(=N/C(=O)OCC2=CC=CC=C2)/NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN4O4/c24-19-11-13-20(14-12-19)25-21(26-22(29)31-15-17-7-3-1-4-8-17)27-28-23(30)32-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,28,30)(H2,25,26,27,29)