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

Systemtic Name: (2S)-2-[(E,2S)-4-(4-methoxyphenyl)-1-nitro-but-3-en-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]cyclohexanone CAS Name: (2S)-2-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]cyclohexanone Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(C[N+](=O)[O-])C2CCCCC2=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/[C@H](C[N+](=O)[O-])[C@@H]2CCCCC2=O

InChI

InChI=1S/C17H21NO4/c1-22-15-10-7-13(8-11-15)6-9-14(12-18(20)21)16-4-2-3-5-17(16)19/h6-11,14,16H,2-5,12H2,1H3/b9-6+/t14-,16+/m1/s1