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2-(6-nitro-1,3-benzodioxol-5-yl)propyl 1,2,3,4-tetrazole-1-carboxylate

2-(6-nitro-1,3-benzodioxol-5-yl)propyl 1,2,3,4-tetrazole-1-carboxylate

Systemtic Name:2-(6-nitro-1,3-benzodioxol-5-yl)propyl 1,2,3,4-tetrazole-1-carboxylate
Openeye Name:2-(6-nitro-1,3-benzodioxol-5-yl)propyl tetrazole-1-carboxylate
CAS Name:1-tetrazolecarboxylic acid 2-(6-nitro-1,3-benzodioxol-5-yl)propyl ester
IUPAC Name:2-(6-nitro-1,3-benzodioxol-5-yl)propyl tetrazole-1-carboxylate
Traditional Name:tetrazole-1-carboxylic acid 2-(6-nitro-1,3-benzodioxol-5-yl)propyl ester
Formula: C12H11N5O6
MolecularWeight: 321.24564
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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1C=NN=N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3


Isomeric SMILES

CC(COC(=O)N1C=NN=N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3


InChI

InChI=1S/C12H11N5O6/c1-7(4-21-12(18)16-5-13-14-15-16)8-2-10-11(23-6-22-10)3-9(8)17(19)20/h2-3,5,7H,4,6H2,1H3


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