5-hexyl-3-(1-methyl-5-nitro-imidazol-2-yl)-2-(phenylmethyl)-1,2-oxazolidine-3-carboxamide

Systemtic Name: 5-hexyl-3-(1-methyl-5-nitro-imidazol-2-yl)-2-(phenylmethyl)-1,2-oxazolidine-3-carboxamide Openeye Name: 2-benzyl-5-hexyl-3-(1-methyl-5-nitro-imidazol-2-yl)isoxazolidine-3-carboxamide CAS Name: 5-hexyl-3-(1-methyl-5-nitro-2-imidazolyl)-2-(phenylmethyl)-3-isoxazolidinecarboxamide IUPAC Name: 2-benzyl-5-hexyl-3-(1-methyl-5-nitroimidazol-2-yl)-1,2-oxazolidine-3-carboxamide Traditional Name: 2-benzyl-5-hexyl-3-(1-methyl-5-nitro-imidazol-2-yl)isoxazolidine-3-carboxamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(N(O1)CC2=CC=CC=C2)(C3=NC=C(N3C)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CCCCCCC1CC(N(O1)CC2=CC=CC=C2)(C3=NC=C(N3C)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C21H29N5O4/c1-3-4-5-9-12-17-13-21(19(22)27,20-23-14-18(24(20)2)26(28)29)25(30-17)15-16-10-7-6-8-11-16/h6-8,10-11,14,17H,3-5,9,12-13,15H2,1-2H3,(H2,22,27)