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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16N2O4
Molecular Weight 336.3413
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOBARBITAL, (S)-

SMILES

CC[C@@]1(C(=O)NC(=O)N(C(=O)C2=CC=CC=C2)C1=O)C3=CC=CC=C3

InChI

InChIKey=QMOWPJIFTHVQMB-IBGZPJMESA-N
InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H16N2O4
Molecular Weight 336.3413
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
O83B33Q2LT
Record Status Validated (UNII)
Record Version