[2-(piperidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate hydrochloride

Systemtic Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate hydrochloride Openeye Name: [2-(1-piperidylmethyl)phenyl]methyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [2-(1-piperidinylmethyl)phenyl]methyl ester hydrochloride IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-(piperidinomethyl)benzyl] ester hydrochloride Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H22N2O4.ClH/c23-20(16-8-10-19(11-9-16)22(24)25)26-15-18-7-3-2-6-17(18)14-21-12-4-1-5-13-21;/h2-3,6-11H,1,4-5,12-15H2;1H