ethyl 1-[3-nitro-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-nitro-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-nitro-6-[4-(1,2,4-triazol-1-yl)phenoxy]-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-nitro-6-[4-(1,2,4-triazol-1-yl)phenoxy]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-nitro-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-nitro-6-[4-(1,2,4-triazol-1-yl)phenoxy]-2-pyridyl]isonipecotic acid ethyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5/c1-2-31-21(28)15-9-11-25(12-10-15)20-18(27(29)30)7-8-19(24-20)32-17-5-3-16(4-6-17)26-14-22-13-23-26/h3-8,13-15H,2,9-12H2,1H3