ethyl 1-[(4-chloranyl-2-nitro-phenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate

Systemtic Name: ethyl 1-[(4-chloranyl-2-nitro-phenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate Openeye Name: ethyl 1-[(4-chloro-2-nitro-phenyl)methyl]tetrazole-5-carboxylate CAS Name: 1-[(4-chloro-2-nitrophenyl)methyl]-5-tetrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-2-nitrophenyl)methyl]tetrazole-5-carboxylate Traditional Name: 1-(4-chloro-2-nitro-benzyl)tetrazole-5-carboxylic acid ethyl ester Formula: C11H10ClN5O4 MolecularWeight: 311.6812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClN5O4/c1-2-21-11(18)10-13-14-15-16(10)6-7-3-4-8(12)5-9(7)17(19)20/h3-5H,2,6H2,1H3