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

Systemtic Name: (3R)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitro-but-3-en-2-yl]oxan-4-one Openeye Name: (3R)-3-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]tetrahydropyran-4-one CAS Name: (3R)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]-4-oxanone IUPAC Name: (3R)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]oxan-4-one Traditional Name: (3R)-3-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]tetrahydropyran-4-one Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(C[N+](=O)[O-])C2COCCC2=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/[C@H](C[N+](=O)[O-])[C@@H]2COCCC2=O

InChI

InChI=1S/C16H19NO5/c1-21-14-6-3-12(4-7-14)2-5-13(10-17(19)20)15-11-22-9-8-16(15)18/h2-7,13,15H,8-11H2,1H3/b5-2+/t13-,15+/m1/s1