3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]isoxazole Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-11-14(12(2)25-17-11)10-24-16-6-5-13(9-15(16)19(20)21)26(22,23)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3