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B5H : Summary

Code

B5H

One-letter code

X

Molecule name

(5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 (5Z)-5-(3-bromobenzylidene)imidazolidine-2,4-dione
OpenEye OEToolkits 1.7.6 (5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione

Formula

C10 H7 Br N2 O2

Formal charge

0

Molecular weight

267.079 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2NC(=C\c1cc(Br)ccc1)/C(=O)N2
SMILES CACTVS 3.385 Brc1cccc(c1)C=C2NC(=O)NC2=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)Br)C=C2C(=O)NC(=O)N2
Canonical SMILES CACTVS 3.385 Brc1cccc(c1)\C=C2/NC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2

IUPAC InChI

InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-

IUPAC InChI key

CFJZPYYYXHXWSB-YVMONPNESA-N
B5H

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2014-05-01

Last modified at

2014-06-27

Status

Released

Obsoleted

Not Assigned