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

Systemtic Name: 3-methyl-5-[(E)-2-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethenyl]-4-nitro-1,2-oxazole Openeye Name: 3-methyl-5-[(E)-2-(2-methyl-4-pyrrolidin-1-yl-phenyl)vinyl]-4-nitro-isoxazole CAS Name: 3-methyl-5-[(E)-2-[2-methyl-4-(1-pyrrolidinyl)phenyl]ethenyl]-4-nitroisoxazole IUPAC Name: 3-methyl-5-[(E)-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethenyl]-4-nitro-1,2-oxazole Traditional Name: 3-methyl-5-[(E)-2-(2-methyl-4-pyrrolidino-phenyl)vinyl]-4-nitro-isoxazole Formula: C17H19N3O3 MolecularWeight: 313.35106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)C=CC3=C(C(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)/C=C/C3=C(C(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-12-11-15(19-9-3-4-10-19)7-5-14(12)6-8-16-17(20(21)22)13(2)18-23-16/h5-8,11H,3-4,9-10H2,1-2H3/b8-6+