4-nitrooxybutyl N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylcarbamate

Systemtic Name: 4-nitrooxybutyl N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylcarbamate Openeye Name: 4-nitrooxybutyl N-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylcarbamate CAS Name: N-[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonylcarbamic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylcarbamate Traditional Name: N-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylcarbamic acid 4-nitrooxybutyl ester Formula: C21H21N3O8S MolecularWeight: 475.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O8S/c1-15-19(20(22-32-15)17-7-3-2-4-8-17)16-9-11-18(12-10-16)33(28,29)23-21(25)30-13-5-6-14-31-24(26)27/h2-4,7-12H,5-6,13-14H2,1H3,(H,23,25)