(2-cyanophenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-cyanophenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-cyanobenzyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c21-13-16-6-2-3-7-17(16)14-27-20(24)15-8-9-18(19(12-15)23(25)26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,14H2