[1-(phenylmethyl)piperidin-4-yl] 3-nitrobenzoate

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 3-nitrobenzoate Openeye Name: (1-benzyl-4-piperidyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-4-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1-benzyl-4-piperidyl) ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4/c22-19(16-7-4-8-17(13-16)21(23)24)25-18-9-11-20(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2