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1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate

1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate

Systemtic Name:1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate
Openeye Name:1-[(4-nitrophenyl)methyl]tetrazole-5-carboxylate
CAS Name:1-[(4-nitrophenyl)methyl]-5-tetrazolecarboxylate
IUPAC Name:1-[(4-nitrophenyl)methyl]tetrazole-5-carboxylate
Traditional Name:1-(4-nitrobenzyl)tetrazole-5-carboxylate
Formula: C9H6N5O4-
MolecularWeight: 248.17504
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=NN=N2)C(=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CN2C(=NN=N2)C(=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C9H7N5O4/c15-9(16)8-10-11-12-13(8)5-6-1-3-7(4-2-6)14(17)18/h1-4H,5H2,(H,15,16)/p-1


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