0RZ

(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid

Created:2012-05-11
Last modified:  2012-08-31

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of 0RZ

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Chemical Component Summary

Name(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
Systematic Name (OpenEye OEToolkits)(E)-4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-but-2-enoic acid
FormulaC11 H10 N2 O4
Molecular Weight234.208
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(ccc1)C(=O)N)\C=C\C(=O)O
SMILESCACTVS3.370NC(=O)c1cccc(NC(=O)C=CC(O)=O)c1
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=O)C=CC(=O)O)C(=O)N
Canonical SMILESCACTVS3.370 NC(=O)c1cccc(NC(=O)/C=C/C(O)=O)c1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N
InChIInChI1.03 InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4+
InChIKeyInChI1.03 GNFSYBNDPOBXLJ-SNAWJCMRSA-N

Related Resource References

Resource NameReference
PubChem 717725
ChEMBL CHEMBL2179988