(4-nitrophenyl)methyl 2-(pyrrolidin-3-ylcarbamoyl)-2-(1,3-thiazol-2-yl)azetidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC(=O)C2(CCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CS4

Isomeric SMILES

C1CNCC1NC(=O)C2(CCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CS4

InChI

InChI=1S/C19H21N5O5S/c25-16(22-14-5-7-20-11-14)19(17-21-8-10-30-17)6-9-23(19)18(26)29-12-13-1-3-15(4-2-13)24(27)28/h1-4,8,10,14,20H,5-7,9,11-12H2,(H,22,25)