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A1L52

Summary
Name:Nile Red
Synonyms:9-(diethylamino)benzo[a]phenoxazin-5-one
Nile Blue A Oxazone
Formula:C20 H18 N2 O2
Formal charge:0
Formula weight:318.369 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.79-(diethylamino)benzo[a]phenoxazin-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
InChIKeyInChI1.06VOFUROIFQGPCGE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)Oc2c1
SMILESCACTVS3.385CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)Oc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)c1ccc2c(c1)OC3=CC(=O)c4ccccc4C3=N2
SMILESOpenEye OEToolkits2.0.7CCN(CC)c1ccc2c(c1)OC3=CC(=O)c4ccccc4C3=N2

247947

PDB entries from 2026-01-21

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