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

Systemtic Name: ethyl 1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate Openeye Name: ethyl 1-[(4-nitrophenyl)methyl]tetrazole-5-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-5-tetrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-nitrophenyl)methyl]tetrazole-5-carboxylate Traditional Name: 1-(4-nitrobenzyl)tetrazole-5-carboxylic acid ethyl ester Formula: C11H11N5O4 MolecularWeight: 277.23614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=NN1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN=NN1CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4/c1-2-20-11(17)10-12-13-14-15(10)7-8-3-5-9(6-4-8)16(18)19/h3-6H,2,7H2,1H3