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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H15N5O5
Molecular Weight 405.3636
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CROMITRILE, (R)-

SMILES

O[C@H](COC1=CC=C(C=C1)C#N)COC2=CC=CC3=C2C(=O)C=C(O3)C4=NN=NN4

InChI

InChIKey=AQMBNKMVOOFSOJ-CYBMUJFWSA-N
InChI=1S/C20H15N5O5/c21-9-12-4-6-14(7-5-12)28-10-13(26)11-29-16-2-1-3-17-19(16)15(27)8-18(30-17)20-22-24-25-23-20/h1-8,13,26H,10-11H2,(H,22,23,24,25)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H15N5O5
Molecular Weight 405.3636
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:07 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:07 GMT 2023
Record UNII
X926O03NIA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CROMITRILE, (R)-
Common Name English
BENZONITRILE, 4-(2-HYDROXY-3-((4-OXO-2-(2H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-5-YL)OXY)PROPOXY), (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
X926O03NIA
Created by admin on Sat Dec 16 11:18:07 GMT 2023 , Edited by admin on Sat Dec 16 11:18:07 GMT 2023
PRIMARY
PUBCHEM
76965544
Created by admin on Sat Dec 16 11:18:07 GMT 2023 , Edited by admin on Sat Dec 16 11:18:07 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER