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

Systemtic Name: 4-[4-(chloromethyl)-5-methyl-3-oxidanylidene-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide Openeye Name: 4-[4-(chloromethyl)-5-methyl-3-oxo-isoxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitro-benzamide CAS Name: 4-[4-(chloromethyl)-5-methyl-3-oxo-2-isoxazolyl]-N-(3-dodecoxypropyl)-3-nitrobenzamide IUPAC Name: 4-[4-(chloromethyl)-5-methyl-3-oxo-1,2-oxazol-2-yl]-N-(3-dodecoxypropyl)-3-nitrobenzamide Traditional Name: 4-[4-(chloromethyl)-3-keto-5-methyl-4-isoxazolin-2-yl]-N-(3-lauryloxypropyl)-3-nitro-benzamide Formula: C27H40ClN3O6 MolecularWeight: 538.076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40ClN3O6/c1-3-4-5-6-7-8-9-10-11-12-17-36-18-13-16-29-26(32)22-14-15-24(25(19-22)31(34)35)30-27(33)23(20-28)21(2)37-30/h14-15,19H,3-13,16-18,20H2,1-2H3,(H,29,32)