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

Systemtic Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N-hexadecyl-3-nitro-benzamide Openeye Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-isoxazol-2-yl]-N-hexadecyl-3-nitro-benzamide CAS Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-2-isoxazolyl]-N-hexadecyl-3-nitrobenzamide IUPAC Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-1,2-oxazol-2-yl]-N-hexadecyl-3-nitrobenzamide Traditional Name: 4-[5-tert-butyl-4-(chloromethyl)-3-keto-4-isoxazolin-2-yl]-N-cetyl-3-nitro-benzamide Formula: C31H48ClN3O5 MolecularWeight: 578.18292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48ClN3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-29(36)24-19-20-26(27(22-24)35(38)39)34-30(37)25(23-32)28(40-34)31(2,3)4/h19-20,22H,5-18,21,23H2,1-4H3,(H,33,36)