[(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl ethanoate

Systemtic Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl ethanoate Openeye Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl acetate CAS Name: acetic acid [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-3-pyrrolidinyl]methyl ester IUPAC Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitropyrrolidin-3-yl]methyl acetate Traditional Name: acetic acid [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CN(CC1C2=CC=C(C=C2)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC[C@@]1(CN(C[C@@H]1C2=CC=C(C=C2)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-11(18)22-10-15(17(19)20)9-16(2)8-14(15)12-4-6-13(21-3)7-5-12/h4-7,14H,8-10H2,1-3H3/t14-,15-/m1/s1