butyl 4-[5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: butyl 4-[5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]-2-furyl]benzoate CAS Name: 4-[5-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]-2-furyl]benzoic acid butyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=C(C(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=C(C(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-3-4-13-27-21(24)16-7-5-15(6-8-16)18-11-9-17(28-18)10-12-19-20(23(25)26)14(2)22-29-19/h5-12H,3-4,13H2,1-2H3