methyl (3R,4S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-nitro-pyrrolidine-1-carboxylate

Systemtic Name: methyl (3R,4S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-nitro-pyrrolidine-1-carboxylate Openeye Name: methyl (3R,4S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-nitro-pyrrolidine-1-carboxylate CAS Name: (3R,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-nitro-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-nitropyrrolidine-1-carboxylate Traditional Name: (3R,4S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-nitro-pyrrolidine-1-carboxylic acid methyl ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CC2[N+](=O)[O-])C(=O)OC)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CN(C[C@H]2[N+](=O)[O-])C(=O)OC)OC3CCCC3

InChI

InChI=1S/C18H24N2O6/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-19(18(21)25-2)11-15(14)20(22)23/h7-9,13-15H,3-6,10-11H2,1-2H3/t14-,15+/m0/s1