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

Systemtic Name: (3-cyanophenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (3-cyanophenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (3-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(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c20-13-14-5-4-6-16(11-14)26-19(23)15-7-8-17(18(12-15)22(24)25)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2