(3S,5R)-2-(2-cyanoethyl)-3-methyl-3-(4-nitrophenyl)-1,2-oxazolidine-5-carbonitrile

Systemtic Name: (3S,5R)-2-(2-cyanoethyl)-3-methyl-3-(4-nitrophenyl)-1,2-oxazolidine-5-carbonitrile Openeye Name: (3S,5R)-2-(2-cyanoethyl)-3-methyl-3-(4-nitrophenyl)isoxazolidine-5-carbonitrile CAS Name: (3S,5R)-2-(2-cyanoethyl)-3-methyl-3-(4-nitrophenyl)-5-isoxazolidinecarbonitrile IUPAC Name: (3S,5R)-2-(2-cyanoethyl)-3-methyl-3-(4-nitrophenyl)-1,2-oxazolidine-5-carbonitrile Traditional Name: (3S,5R)-2-(2-cyanoethyl)-3-methyl-3-(4-nitrophenyl)isoxazolidine-5-carbonitrile Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(ON1CCC#N)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(C[C@@H](ON1CCC#N)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c1-14(11-3-5-12(6-4-11)18(19)20)9-13(10-16)21-17(14)8-2-7-15/h3-6,13H,2,8-9H2,1H3/t13-,14+/m1/s1