1-(5-dodecyl-4-nitro-1,2-oxazol-3-yl)tridecan-1-one

Systemtic Name: 1-(5-dodecyl-4-nitro-1,2-oxazol-3-yl)tridecan-1-one Openeye Name: 1-(5-dodecyl-4-nitro-isoxazol-3-yl)tridecan-1-one CAS Name: 1-(5-dodecyl-4-nitro-3-isoxazolyl)-1-tridecanone IUPAC Name: 1-(5-dodecyl-4-nitro-1,2-oxazol-3-yl)tridecan-1-one Traditional Name: 1-(5-lauryl-4-nitro-isoxazol-3-yl)tridecan-1-one Formula: C28H50N2O4 MolecularWeight: 478.7076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=NO1)C(=O)CCCCCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=NO1)C(=O)CCCCCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C28H50N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25(31)27-28(30(32)33)26(34-29-27)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3