PNZ

P-NITRO-BENZYLAMINE

Created:2005-11-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of PNZ

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Chemical Component Summary

NameP-NITRO-BENZYLAMINE
Systematic Name (OpenEye OEToolkits)(4-nitrophenyl)methanamine
FormulaC7 H8 N2 O2
Molecular Weight152.151
TypeL-PEPTIDE COOH CARBOXY TERMINUS

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1ccc(cc1)CN
SMILESCACTVS3.341NCc1ccc(cc1)[N+]([O-])=O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CN)[N+](=O)[O-]
Canonical SMILESCACTVS3.341 NCc1ccc(cc1)[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1CN)[N+](=O)[O-]
InChIInChI1.03 InChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
InChIKeyInChI1.03 ODVBBZFQPGORMJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1235374
PubChem 29147
ChEMBL CHEMBL1235374