(4-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-cyanobenzyl) ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c20-12-14-3-5-15(6-4-14)13-26-19(23)16-7-8-17(18(11-16)22(24)25)21-9-1-2-10-21/h3-8,11H,1-2,9-10,13H2