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Summary Geometry Related PDB entries

2RB

Summary

Name:	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
Formula:	C15 H12 Br2 N2 O4
Formal charge:	0
Formula weight:	444.075 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
OpenEye OEToolkits	1.5.0	N-[(3,5-dibromo-2,4-dihydroxy-phenyl)methylideneamino]-4-methoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c2ccc(OC)cc2
SMILES_CANONICAL	CACTVS	3.341	COc1ccc(cc1)C(=O)N\N=C\c2cc(Br)c(O)c(Br)c2O
SMILES	CACTVS	3.341	COc1ccc(cc1)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
InChI	InChI	1.03	InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChIKey	InChI	1.03	BMGXNERTVNWBJG-CNHKJKLMSA-N

248335

PDB entries from 2026-01-28

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