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

Systemtic Name: 4-[4-(chloromethyl)-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide Openeye Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-isoxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide CAS Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-2-isoxazolyl]-N-(3-dodecoxypropyl)-3-nitrobenzamide IUPAC Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitrobenzamide Traditional Name: 4-[4-(chloromethyl)-3-keto-5-phenyl-4-isoxazolin-2-yl]-N-(3-lauryloxypropyl)-3-nitro-benzamide Formula: C32H42ClN3O6 MolecularWeight: 600.14538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C3=CC=CC=C3)CCl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C3=CC=CC=C3)CCl)[N+](=O)[O-]

InChI

InChI=1S/C32H42ClN3O6/c1-2-3-4-5-6-7-8-9-10-14-21-41-22-15-20-34-31(37)26-18-19-28(29(23-26)36(39)40)35-32(38)27(24-33)30(42-35)25-16-12-11-13-17-25/h11-13,16-19,23H,2-10,14-15,20-22,24H2,1H3,(H,34,37)