3-methyl-4-nitro-5-[(E)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazole

Systemtic Name: 3-methyl-4-nitro-5-[(E)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazole Openeye Name: 3-methyl-4-nitro-5-[(E)-2-(4-pyrrolidin-1-ylsulfonylphenyl)vinyl]isoxazole CAS Name: 3-methyl-4-nitro-5-[(E)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethenyl]isoxazole IUPAC Name: 3-methyl-4-nitro-5-[(E)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazole Traditional Name: 3-methyl-4-nitro-5-[(E)-2-(4-pyrrolidinosulfonylphenyl)vinyl]isoxazole Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H17N3O5S/c1-12-16(19(20)21)15(24-17-12)9-6-13-4-7-14(8-5-13)25(22,23)18-10-2-3-11-18/h4-9H,2-3,10-11H2,1H3/b9-6+