[1-(phenylmethyl)piperidin-4-yl] 4-bromanyl-2-nitro-benzoate hydrochloride

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 4-bromanyl-2-nitro-benzoate hydrochloride Openeye Name: (1-benzyl-4-piperidyl) 4-bromo-2-nitro-benzoate hydrochloride CAS Name: 4-bromo-2-nitrobenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: (1-benzylpiperidin-4-yl) 4-bromo-2-nitrobenzoate hydrochloride Traditional Name: 4-bromo-2-nitro-benzoic acid (1-benzyl-4-piperidyl) ester hydrochloride Formula: C19H20BrClN2O4 MolecularWeight: 455.7301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=C(C=C(C=C2)Br)[N+](=O)[O-])CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1OC(=O)C2=C(C=C(C=C2)Br)[N+](=O)[O-])CC3=CC=CC=C3.Cl

InChI

InChI=1S/C19H19BrN2O4.ClH/c20-15-6-7-17(18(12-15)22(24)25)19(23)26-16-8-10-21(11-9-16)13-14-4-2-1-3-5-14;/h1-7,12,16H,8-11,13H2;1H