[4-(2-piperidin-1-ylethyl)phenyl] 4-nitrobenzoate chloride

Systemtic Name: [4-(2-piperidin-1-ylethyl)phenyl] 4-nitrobenzoate chloride Openeye Name: [4-[2-(1-piperidyl)ethyl]phenyl] 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid [4-[2-(1-piperidinyl)ethyl]phenyl] ester chloride IUPAC Name: [4-(2-piperidin-1-ylethyl)phenyl] 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid [4-(2-piperidinoethyl)phenyl] ester chloride Formula: C20H22ClN2O4- MolecularWeight: 389.85268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CCN(CC1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H22N2O4.ClH/c23-20(17-6-8-18(9-7-17)22(24)25)26-19-10-4-16(5-11-19)12-15-21-13-2-1-3-14-21;/h4-11H,1-3,12-15H2;1H/p-1