[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C19H18N6O4 MolecularWeight: 394.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)N4C=NN=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)N4C=NN=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c26-19(29-16-7-5-15(6-8-16)24-13-20-21-22-24)14-4-9-17(18(12-14)25(27)28)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2