Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZP2 : Summary

Code

ZP2

One-letter code

X

Molecule name

(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone

Formula

C14 H10 F N O6

Formal charge

0

Molecular weight

307.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2
SMILES OpenEye OEToolkits 2.0.7 COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O
Canonical SMILES CACTVS 3.385 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O

IUPAC InChI

InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3

IUPAC InChI key

LHCGDAFIWWCKGM-UHFFFAOYSA-N
ZP2

wwPDB Information

Atom count

32 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-29

Last modified at

2024-05-03

Status

Released

Obsoleted

Not Assigned