methyl (3R)-4-[2-(2-nitrophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Systemtic Name: methyl (3R)-4-[2-(2-nitrophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Openeye Name: methyl (3R)-4-[2-(2-nitrophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate CAS Name: (3R)-4-[2-(2-nitrophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (3R)-4-[2-(2-nitrophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Traditional Name: (3R)-4-[2-(2-nitrophenyl)acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN([C@@H](C1)CN2CCCC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5/c1-28-19(25)21-10-11-22(16(14-21)13-20-8-4-5-9-20)18(24)12-15-6-2-3-7-17(15)23(26)27/h2-3,6-7,16H,4-5,8-14H2,1H3/t16-/m1/s1