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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H21N3O7
Molecular Weight 451.4287
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DINITROPHENYLMORPHINE

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O)=CC=C3OC6=C(C=C(C=C6)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=LRGWIFMZKBJNGI-KARMISDFSA-N
InChI=1S/C23H21N3O7/c1-24-9-8-23-14-4-5-17(27)22(23)33-21-19(6-2-12(20(21)23)10-15(14)24)32-18-7-3-13(25(28)29)11-16(18)26(30)31/h2-7,11,14-15,17,22,27H,8-10H2,1H3/t14-,15+,17-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H21N3O7
Molecular Weight 451.4287
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9VEU59XV9R
Record Status Validated (UNII)
Record Version