ethyl (4R,5S)-4-nitro-7-oxidanylidene-5,7-diphenyl-heptanoate

Systemtic Name: ethyl (4R,5S)-4-nitro-7-oxidanylidene-5,7-diphenyl-heptanoate Openeye Name: ethyl (4R,5S)-4-nitro-7-oxo-5,7-diphenyl-heptanoate CAS Name: (4R,5S)-4-nitro-7-oxo-5,7-diphenylheptanoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-nitro-7-oxo-5,7-diphenylheptanoate Traditional Name: (4R,5S)-7-keto-4-nitro-5,7-diphenyl-enanthic acid ethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC[C@H]([C@@H](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO5/c1-2-27-21(24)14-13-19(22(25)26)18(16-9-5-3-6-10-16)15-20(23)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3/t18-,19+/m0/s1