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

Systemtic Name: ethyl 4-[5-[(5-methoxy-2-nitro-phenoxy)methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(5-methoxy-2-nitro-phenoxy)methyl]tetrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-[(5-methoxy-2-nitrophenoxy)methyl]-1-tetrazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(5-methoxy-2-nitrophenoxy)methyl]tetrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(5-methoxy-2-nitro-phenoxy)methyl]tetrazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C17H22N6O6 MolecularWeight: 406.39318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O6/c1-3-28-17(24)21-8-6-12(7-9-21)22-16(18-19-20-22)11-29-15-10-13(27-2)4-5-14(15)23(25)26/h4-5,10,12H,3,6-9,11H2,1-2H3