Chemical identification
CAS identifier2512-29-0
Pubchem identifier221491
DSSTox identifierDTXSID4041735
IUPAC name2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
StructureC.I. Pigment Yellow 1

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCc1ccc(c(c1)[N+](=O)[O-])/N=N/C(C(=O)Nc1ccccc1)C(=O)C
InChIInChI=1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)/b20-19+
InChIKeyMFYSUUPKMDJYPF-FMQUCBEESA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
DISCLAIMER

TICToK is a database of tattoo ink chemicals compiled from different regulatory resources. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.