(4-nitrophenyl)methyl 2-piperazin-1-ylcarbonyl-1-(1,3-thiazol-2-yl)azetidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-piperazin-1-ylcarbonyl-1-(1,3-thiazol-2-yl)azetidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(piperazine-1-carbonyl)-1-thiazol-2-yl-azetidine-2-carboxylate CAS Name: 2-[oxo(1-piperazinyl)methyl]-1-(2-thiazolyl)-2-azetidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(piperazine-1-carbonyl)-1-(1,3-thiazol-2-yl)azetidine-2-carboxylate Traditional Name: 2-(piperazine-1-carbonyl)-1-thiazol-2-yl-azetidine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1(C(=O)N2CCNCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CS4

Isomeric SMILES

C1CN(C1(C(=O)N2CCNCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CS4

InChI

InChI=1S/C19H21N5O5S/c25-16(22-10-6-20-7-11-22)19(5-9-23(19)18-21-8-12-30-18)17(26)29-13-14-1-3-15(4-2-14)24(27)28/h1-4,8,12,20H,5-7,9-11,13H2