(phenylmethyl) 2-azido-4-(4-bromophenyl)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-azido-4-(4-bromophenyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 2-azido-4-(4-bromophenyl)-3-oxo-piperazine-1-carboxylate CAS Name: 2-azido-4-(4-bromophenyl)-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-azido-4-(4-bromophenyl)-3-oxopiperazine-1-carboxylate Traditional Name: 2-azido-4-(4-bromophenyl)-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C(=O)C(N1C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN5O3/c19-14-6-8-15(9-7-14)23-10-11-24(16(17(23)25)21-22-20)18(26)27-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2