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

Systemtic Name: 4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-N-hexadecyl-3-nitro-benzamide Openeye Name: 4-(5-tert-butyl-3-oxo-isoxazol-2-yl)-N-hexadecyl-3-nitro-benzamide CAS Name: 4-(5-tert-butyl-3-oxo-2-isoxazolyl)-N-hexadecyl-3-nitrobenzamide IUPAC Name: 4-(5-tert-butyl-3-oxo-1,2-oxazol-2-yl)-N-hexadecyl-3-nitrobenzamide Traditional Name: 4-(5-tert-butyl-3-keto-4-isoxazolin-2-yl)-N-cetyl-3-nitro-benzamide Formula: C30H47N3O5 MolecularWeight: 529.71128

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H47N3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-29(35)24-19-20-25(26(22-24)33(36)37)32-28(34)23-27(38-32)30(2,3)4/h19-20,22-23H,5-18,21H2,1-4H3,(H,31,35)