ethyl 4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-2-hexadecoxy-5-nitro-benzoate

Systemtic Name: ethyl 4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-2-hexadecoxy-5-nitro-benzoate Openeye Name: ethyl 4-(5-tert-butyl-3-oxo-isoxazol-2-yl)-2-hexadecoxy-5-nitro-benzoate CAS Name: 4-(5-tert-butyl-3-oxo-2-isoxazolyl)-2-hexadecoxy-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(5-tert-butyl-3-oxo-1,2-oxazol-2-yl)-2-hexadecoxy-5-nitrobenzoate Traditional Name: 4-(5-tert-butyl-3-keto-4-isoxazolin-2-yl)-2-cetyloxy-5-nitro-benzoic acid ethyl ester Formula: C32H50N2O7 MolecularWeight: 574.7486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(=O)OCC)[N+](=O)[O-])N2C(=O)C=C(O2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(=O)OCC)[N+](=O)[O-])N2C(=O)C=C(O2)C(C)(C)C

InChI

InChI=1S/C32H50N2O7/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-40-28-23-26(33-30(35)24-29(41-33)32(3,4)5)27(34(37)38)22-25(28)31(36)39-7-2/h22-24H,6-21H2,1-5H3