ethyl 4-[5-[(2-methyl-5-nitro-phenoxy)methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(2-methyl-5-nitro-phenoxy)methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(2-methyl-5-nitro-phenoxy)methyl]tetrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-[(2-methyl-5-nitrophenoxy)methyl]-1-tetrazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2-methyl-5-nitrophenoxy)methyl]tetrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(2-methyl-5-nitro-phenoxy)methyl]tetrazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C17H22N6O5 MolecularWeight: 390.39378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=NN=N2)COC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=NN=N2)COC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N6O5/c1-3-27-17(24)21-8-6-13(7-9-21)22-16(18-19-20-22)11-28-15-10-14(23(25)26)5-4-12(15)2/h4-5,10,13H,3,6-9,11H2,1-2H3