[(3R)-6-methoxy-5-(4-methylphenyl)-6-oxidanylidene-hexan-3-yl] 4-nitrobenzoate

Systemtic Name: [(3R)-6-methoxy-5-(4-methylphenyl)-6-oxidanylidene-hexan-3-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-ethyl-4-methoxy-4-oxo-3-(p-tolyl)butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R)-6-methoxy-5-(4-methylphenyl)-6-oxohexan-3-yl] ester IUPAC Name: [(3R)-6-methoxy-5-(4-methylphenyl)-6-oxohexan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-ethyl-4-keto-4-methoxy-3-(p-tolyl)butyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-18(28-20(23)16-9-11-17(12-10-16)22(25)26)13-19(21(24)27-3)15-7-5-14(2)6-8-15/h5-12,18-19H,4,13H2,1-3H3/t18-,19?/m1/s1