(phenylmethyl) 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-bromophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C24H17BrN4O2 MolecularWeight: 473.32138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)Br)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)Br)N

InChI

InChI=1S/C24H17BrN4O2/c25-16-10-12-17(13-11-16)29-22(26)20(24(30)31-14-15-6-2-1-3-7-15)21-23(29)28-19-9-5-4-8-18(19)27-21/h1-13H,14,26H2