OZR

N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide

Created:2010-10-10
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count3
Bond Count41
Aromatic Bond Count6
2D diagram of OZR

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Chemical Component Summary

NameN-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
Systematic Name (OpenEye OEToolkits)N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
FormulaC14 H16 N2 O8
Molecular Weight340.285
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O
SMILESCACTVS3.370O[CH]1CO[CH](C=CCNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)[CH]1O
SMILESOpenEye OEToolkits1.7.0c1c(cc(c(c1C(=O)NCC=CC2C(C(CO2)O)O)O)O)[N+](=O)[O-]
Canonical SMILESCACTVS3.370 O[C@H]1CO[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.7.0 c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-]
InChIInChI1.03 InChI=1S/C14H16N2O8/c17-9-5-7(16(22)23)4-8(12(9)19)14(21)15-3-1-2-11-13(20)10(18)6-24-11/h1-2,4-5,10-11,13,17-20H,3,6H2,(H,15,21)/b2-1+/t10-,11+,13-/m0/s1
InChIKeyInChI1.03 VDHNUEGZSFACAM-CNBGNIIQSA-N

Related Resource References

Resource NameReference
PubChem 50919275