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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13ClN4O3
Molecular Weight 344.752
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-5-HYDROXY-6-METHYL-1H-INDOLE-3-CARBOXALDEHYDE (2-NITROPHENYL)HYDRAZINE

SMILES

CC1=CC2=C(C=C1O)C(\C=N\NC3=CC=CC=C3[N+]([O-])=O)=C(Cl)N2

InChI

InChIKey=PWHFPZVWHMZSBI-QGMBQPNBSA-N
InChI=1S/C16H13ClN4O3/c1-9-6-13-10(7-15(9)22)11(16(17)19-13)8-18-20-12-4-2-3-5-14(12)21(23)24/h2-8,19-20,22H,1H3/b18-8+

HIDE SMILES / InChI

Molecular Formula C16H13ClN4O3
Molecular Weight 344.752
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:55:55 GMT 2025
Edited
by admin
on Mon Mar 31 22:55:55 GMT 2025
Record UNII
W92RO8H90K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-286480
Preferred Name English
2-CHLORO-5-HYDROXY-6-METHYL-1H-INDOLE-3-CARBOXALDEHYDE (2-NITROPHENYL)HYDRAZINE
Systematic Name English
1H-INDOLE-3-CARBOXALDEHYDE, 2-CHLORO-5-HYDROXY-6-METHYL-, 2-(2-NITROPHENYL)HYDRAZINE
Systematic Name English
1H-INDOLE-3-CARBOXALDEHYDE, 2-CHLORO-5-HYDROXY-6-METHYL-, (2-NITROPHENYL)HYDRAZINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00418520
Created by admin on Mon Mar 31 22:55:55 GMT 2025 , Edited by admin on Mon Mar 31 22:55:55 GMT 2025
PRIMARY
NSC
286480
Created by admin on Mon Mar 31 22:55:55 GMT 2025 , Edited by admin on Mon Mar 31 22:55:55 GMT 2025
PRIMARY
CAS
69789-93-1
Created by admin on Mon Mar 31 22:55:55 GMT 2025 , Edited by admin on Mon Mar 31 22:55:55 GMT 2025
PRIMARY
PUBCHEM
135488811
Created by admin on Mon Mar 31 22:55:55 GMT 2025 , Edited by admin on Mon Mar 31 22:55:55 GMT 2025
PRIMARY
FDA UNII
W92RO8H90K
Created by admin on Mon Mar 31 22:55:55 GMT 2025 , Edited by admin on Mon Mar 31 22:55:55 GMT 2025
PRIMARY