(3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitro-but-3-en-2-yl]oxan-4-one

Systemtic Name: (3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitro-but-3-en-2-yl]oxan-4-one Openeye Name: (3R)-3-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]tetrahydropyran-4-one CAS Name: (3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]-4-oxanone IUPAC Name: (3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]oxan-4-one Traditional Name: (3R)-3-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]tetrahydropyran-4-one Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(C1=O)C(C[N+](=O)[O-])C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1COC[C@H](C1=O)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H16ClNO4/c16-13-5-2-11(3-6-13)1-4-12(9-17(19)20)14-10-21-8-7-15(14)18/h1-6,12,14H,7-10H2/b4-1+/t12-,14+/m1/s1