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

Systemtic Name: [(3S,4S)-1-methyl-4-(4-methylphenyl)-3-nitro-pyrrolidin-3-yl]methyl ethanoate Openeye Name: [(3S,4S)-1-methyl-3-nitro-4-(p-tolyl)pyrrolidin-3-yl]methyl acetate CAS Name: acetic acid [(3S,4S)-1-methyl-4-(4-methylphenyl)-3-nitro-3-pyrrolidinyl]methyl ester IUPAC Name: [(3S,4S)-1-methyl-4-(4-methylphenyl)-3-nitropyrrolidin-3-yl]methyl acetate Traditional Name: acetic acid [(3S,4S)-1-methyl-3-nitro-4-(p-tolyl)pyrrolidin-3-yl]methyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN(CC2(COC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CN(C[C@@]2(COC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H20N2O4/c1-11-4-6-13(7-5-11)14-8-16(3)9-15(14,17(19)20)10-21-12(2)18/h4-7,14H,8-10H2,1-3H3/t14-,15+/m1/s1