ethyl (2S,3R)-3-(3-bromophenyl)-3-[(2R,6S)-6-methyloxan-2-yl]oxy-2-nitro-propanoate

Systemtic Name: ethyl (2S,3R)-3-(3-bromophenyl)-3-[(2R,6S)-6-methyloxan-2-yl]oxy-2-nitro-propanoate Openeye Name: ethyl (2S,3R)-3-(3-bromophenyl)-3-[(2R,6S)-6-methyltetrahydropyran-2-yl]oxy-2-nitro-propanoate CAS Name: (2S,3R)-3-(3-bromophenyl)-3-[[(2R,6S)-6-methyl-2-oxanyl]oxy]-2-nitropropanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-(3-bromophenyl)-3-[(2R,6S)-6-methyloxan-2-yl]oxy-2-nitropropanoate Traditional Name: (2S,3R)-3-(3-bromophenyl)-3-[(2R,6S)-6-methyltetrahydropyran-2-yl]oxy-2-nitro-propionic acid ethyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=CC=C1)Br)OC2CCCC(O2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC(=CC=C1)Br)O[C@@H]2CCC[C@@H](O2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22BrNO6/c1-3-23-17(20)15(19(21)22)16(12-7-5-8-13(18)10-12)25-14-9-4-6-11(2)24-14/h5,7-8,10-11,14-16H,3-4,6,9H2,1-2H3/t11-,14+,15-,16+/m0/s1