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

Systemtic Name: (2S)-2-[(E,2S)-4-(4-chlorophenyl)-1-nitro-but-3-en-2-yl]cyclopentan-1-one Openeye Name: (2S)-2-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]cyclopentanone CAS Name: (2S)-2-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]-1-cyclopentanone IUPAC Name: (2S)-2-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]cyclopentan-1-one Traditional Name: (2S)-2-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]cyclopentanone Formula: C15H16ClNO3 MolecularWeight: 293.74544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)C(C[N+](=O)[O-])C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[C@H](C(=O)C1)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H16ClNO3/c16-13-8-5-11(6-9-13)4-7-12(10-17(19)20)14-2-1-3-15(14)18/h4-9,12,14H,1-3,10H2/b7-4+/t12-,14+/m1/s1