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

Systemtic Name: methyl 4-[2-(2-nitrophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate hydrochloride Openeye Name: methyl 4-[2-(2-nitrophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-(2-nitrophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-(2-nitrophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-(2-nitrophenyl)acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester hydrochloride Formula: C19H27ClN4O5 MolecularWeight: 426.89448

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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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5.ClH/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;1H