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Details

Stereochemistry RACEMIC
Molecular Formula C19H20N2O7
Molecular Weight 388.3713
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, RACEMIC

SHOW SMILES / InChI
Structure of 5-((2-HYDROXY-2-METHYLPROPOXY)CARBONYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)NICOTINIC ACID

SMILES

CC1=NC(C)=C(C(O)=O)C(C2=C(C=CC=C2)[N+]([O-])=O)=C1C(=O)OCC(C)(C)O

InChI

InChIKey=MVVCNLDLEHBPJK-UHFFFAOYSA-N
InChI=1S/C19H20N2O7/c1-10-14(17(22)23)16(12-7-5-6-8-13(12)21(26)27)15(11(2)20-10)18(24)28-9-19(3,4)25/h5-8,25H,9H2,1-4H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C19H20N2O7
Molecular Weight 388.3713
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
1AXP276RGJ
Record Status Validated (UNII)
Record Version