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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N3O6
Molecular Weight 405.3603
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-

SMILES

COC1=CC=C(NC2=C3C(=O)C4=C(C(=O)C3=C(N)C=C2)C(=CC=C4O)[N+]([O-])=O)C=C1

InChI

InChIKey=ZMADRZYRRIKVJV-UHFFFAOYSA-N
InChI=1S/C21H15N3O6/c1-30-11-4-2-10(3-5-11)23-13-7-6-12(22)16-17(13)21(27)19-15(25)9-8-14(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H15N3O6
Molecular Weight 405.3603
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 Tue Apr 01 19:05:16 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:16 GMT 2025
Record UNII
75CCU4ZZA6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-
Systematic Name English
1-Amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-9,10-anthracenedione
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
258-013-4
Created by admin on Tue Apr 01 19:05:16 GMT 2025 , Edited by admin on Tue Apr 01 19:05:16 GMT 2025
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PUBCHEM
5484683
Created by admin on Tue Apr 01 19:05:16 GMT 2025 , Edited by admin on Tue Apr 01 19:05:16 GMT 2025
PRIMARY
FDA UNII
75CCU4ZZA6
Created by admin on Tue Apr 01 19:05:16 GMT 2025 , Edited by admin on Tue Apr 01 19:05:16 GMT 2025
PRIMARY
CAS
52576-59-7
Created by admin on Tue Apr 01 19:05:16 GMT 2025 , Edited by admin on Tue Apr 01 19:05:16 GMT 2025
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EPA CompTox
DTXSID7068768
Created by admin on Tue Apr 01 19:05:16 GMT 2025 , Edited by admin on Tue Apr 01 19:05:16 GMT 2025
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