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

Systemtic Name: (2-cyanophenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-cyanophenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-cyanophenyl) ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c20-13-15-6-2-3-7-18(15)26-19(23)14-8-9-16(17(12-14)22(24)25)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2