[nitro(phenyl)methyl] 1-[2-(2-ethyl-4-oxidanylidene-azetidin-3-yl)sulfanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 1-[2-(2-ethyl-4-oxidanylidene-azetidin-3-yl)sulfanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: [nitro(phenyl)methyl] 1-[2-(2-ethyl-4-oxo-azetidin-3-yl)sulfanyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2-ethyl-4-oxo-3-azetidinyl)thio]-2-oxoethyl]-4-piperidinecarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 1-[2-(2-ethyl-4-oxoazetidin-3-yl)sulfanyl-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-ethyl-4-keto-azetidin-3-yl)thio]-2-keto-ethyl]isonipecotic acid [nitro(phenyl)methyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)N1)SC(=O)CN2CCC(CC2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1C(C(=O)N1)SC(=O)CN2CCC(CC2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-2-15-17(18(25)21-15)30-16(24)12-22-10-8-14(9-11-22)20(26)29-19(23(27)28)13-6-4-3-5-7-13/h3-7,14-15,17,19H,2,8-12H2,1H3,(H,21,25)