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

Systemtic Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl ethanoate Openeye Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl acetate CAS Name: acetic acid [(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-nitro-3-pyrrolidinyl]methyl ester IUPAC Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-nitropyrrolidin-3-yl]methyl acetate Traditional Name: acetic acid [(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methyl ester Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-10(18)21-9-14(17(19)20)8-16(2)7-13(14)11-3-5-12(15)6-4-11/h3-6,13H,7-9H2,1-2H3/t13-,14-/m1/s1