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

Systemtic Name: (2S)-2-[(E,2S)-4-(4-methoxyphenyl)-1-nitro-but-3-en-2-yl]cyclopentan-1-one Openeye Name: (2S)-2-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]cyclopentanone CAS Name: (2S)-2-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]-1-cyclopentanone IUPAC Name: (2S)-2-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]cyclopentan-1-one Traditional Name: (2S)-2-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]cyclopentanone Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(C[N+](=O)[O-])C2CCCC2=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/[C@H](C[N+](=O)[O-])[C@@H]2CCCC2=O

InChI

InChI=1S/C16H19NO4/c1-21-14-9-6-12(7-10-14)5-8-13(11-17(19)20)15-3-2-4-16(15)18/h5-10,13,15H,2-4,11H2,1H3/b8-5+/t13-,15+/m1/s1