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

Systemtic Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate Openeye Name: [2-(1-piperidylmethyl)phenyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-piperidinylmethyl)phenyl]methyl ester IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(piperidinomethyl)benzyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/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