4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide

Systemtic Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide Openeye Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-isoxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide CAS Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-2-isoxazolyl]-N-(3-dodecoxypropyl)-3-nitrobenzamide IUPAC Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitrobenzamide Traditional Name: 4-[5-tert-butyl-4-(chloromethyl)-3-keto-4-isoxazolin-2-yl]-N-(3-lauryloxypropyl)-3-nitro-benzamide Formula: C30H46ClN3O6 MolecularWeight: 580.15574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CCl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CCl)[N+](=O)[O-]

InChI

InChI=1S/C30H46ClN3O6/c1-5-6-7-8-9-10-11-12-13-14-19-39-20-15-18-32-28(35)23-16-17-25(26(21-23)34(37)38)33-29(36)24(22-31)27(40-33)30(2,3)4/h16-17,21H,5-15,18-20,22H2,1-4H3,(H,32,35)