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

Systemtic Name: ethyl 1-[(5-methyl-2-nitro-phenyl)methyl]-1,2,3,4-tetrazole-5-carboxylate Openeye Name: ethyl 1-[(5-methyl-2-nitro-phenyl)methyl]tetrazole-5-carboxylate CAS Name: 1-[(5-methyl-2-nitrophenyl)methyl]-5-tetrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-methyl-2-nitrophenyl)methyl]tetrazole-5-carboxylate Traditional Name: 1-(5-methyl-2-nitro-benzyl)tetrazole-5-carboxylic acid ethyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4/c1-3-21-12(18)11-13-14-15-16(11)7-9-6-8(2)4-5-10(9)17(19)20/h4-6H,3,7H2,1-2H3