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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O6
Molecular Weight 328.2763
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTINOCIN

SMILES

CC1=CC=C(C(O)=O)C2=C1OC3=C(C)C(=O)C(N)=C(C(O)=O)C3=N2

InChI

InChIKey=KXRMREPJUITWDU-UHFFFAOYSA-N
InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)

HIDE SMILES / InChI

Molecular Formula C16H12N2O6
Molecular Weight 328.2763
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
UGB65Q5QVC
Record Status Validated (UNII)
Record Version