PXZ

2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count6
2D diagram of PXZ

Chemical Component Summary

Name2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE
SynonymsPHENOXAZINE
Systematic Name (OpenEye OEToolkits)2-azanyl-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxylic acid
FormulaC16 H12 N2 O6
Molecular Weight328.276
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
SMILESCACTVS3.385Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O
Canonical SMILESCACTVS3.385 Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O
InChIInChI1.06 InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyInChI1.06 KXRMREPJUITWDU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 96175