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Details

Stereochemistry MIXED
Molecular Formula C21H21NO8
Molecular Weight 415.3933
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [Ethyl ?-(4-methoxybenzoyl)-?-(nitromethyl)-1,3-benzodioxole-5-propanoate]

SMILES

CCOC(=O)C(C(C[N+]([O-])=O)C1=CC=C2OCOC2=C1)C(=O)C3=CC=C(OC)C=C3

InChI

InChIKey=QPSKREVTKUBJMA-UHFFFAOYSA-N
InChI=1S/C21H21NO8/c1-3-28-21(24)19(20(23)13-4-7-15(27-2)8-5-13)16(11-22(25)26)14-6-9-17-18(10-14)30-12-29-17/h4-10,16,19H,3,11-12H2,1-2H3

HIDE SMILES / InChI

Approval Year