ethyl 1-[5-nitro-6-[4-(1,2,3-thiadiazol-4-yl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[4-(1,2,3-thiadiazol-4-yl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[4-(thiadiazol-4-yl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(4-thiadiazolyl)phenoxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[4-(thiadiazol-4-yl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[4-(thiadiazol-4-yl)phenoxy]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4=CSN=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4=CSN=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O5S/c1-2-30-20(27)14-7-9-25(10-8-14)18-17(26(28)29)19(22-12-21-18)31-15-5-3-13(4-6-15)16-11-32-24-23-16/h3-6,11-12,14H,2,7-10H2,1H3