(4S,5R)-4-ethyl-5-(2-hydroxyethyl)-1-[(2-nitrophenyl)methyl]pyrazolidin-3-one

Systemtic Name: (4S,5R)-4-ethyl-5-(2-hydroxyethyl)-1-[(2-nitrophenyl)methyl]pyrazolidin-3-one Openeye Name: (4S,5R)-4-ethyl-5-(2-hydroxyethyl)-1-[(2-nitrophenyl)methyl]pyrazolidin-3-one CAS Name: (4S,5R)-4-ethyl-5-(2-hydroxyethyl)-1-[(2-nitrophenyl)methyl]-3-pyrazolidinone IUPAC Name: (4S,5R)-4-ethyl-5-(2-hydroxyethyl)-1-[(2-nitrophenyl)methyl]pyrazolidin-3-one Traditional Name: (4S,5R)-4-ethyl-5-(2-hydroxyethyl)-1-(2-nitrobenzyl)pyrazolidin-3-one Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(NC1=O)CC2=CC=CC=C2[N+](=O)[O-])CCO

Isomeric SMILES

CC[C@H]1[C@H](N(NC1=O)CC2=CC=CC=C2[N+](=O)[O-])CCO

InChI

InChI=1S/C14H19N3O4/c1-2-11-13(7-8-18)16(15-14(11)19)9-10-5-3-4-6-12(10)17(20)21/h3-6,11,13,18H,2,7-9H2,1H3,(H,15,19)/t11-,13+/m0/s1