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2HZ

Summary
Name:(2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
Formula:C15 H11 N O4
Formal charge:0
Formula weight:269.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
OpenEye OEToolkits1.7.6(Z)-3-[3-(3-nitrophenyl)phenyl]prop-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=[N+]([O-])c2cc(c1cccc(/C=C\C(=O)O)c1)ccc2
InChIInChI1.03InChI=1S/C15H11NO4/c17-15(18)8-7-11-3-1-4-12(9-11)13-5-2-6-14(10-13)16(19)20/h1-10H,(H,17,18)/b8-7-
InChIKeyInChI1.03HYAFIZTXGDBMTF-FPLPWBNLSA-N
SMILES_CANONICALCACTVS3.385OC(=O)\C=C/c1cccc(c1)c2cccc(c2)[N+]([O-])=O
SMILESCACTVS3.385OC(=O)C=Cc1cccc(c1)c2cccc(c2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])C=CC(=O)O

246704

PDB entries from 2025-12-24

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