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

Systemtic Name: (2S)-2-[(E,2S)-4-(4-chlorophenyl)-1-nitro-but-3-en-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]cyclohexanone CAS Name: (2S)-2-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]cyclohexanone Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C[N+](=O)[O-])C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClNO3/c17-14-9-6-12(7-10-14)5-8-13(11-18(20)21)15-3-1-2-4-16(15)19/h5-10,13,15H,1-4,11H2/b8-5+/t13-,15+/m1/s1