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

Systemtic Name: (2-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-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=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c20-12-15-5-1-2-6-16(15)13-26-19(23)14-7-8-17(18(11-14)22(24)25)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,13H2