(2-phenyl-2-pyrrolidin-1-yl-ethyl) 4-nitrobenzoate

Systemtic Name: (2-phenyl-2-pyrrolidin-1-yl-ethyl) 4-nitrobenzoate Openeye Name: (2-phenyl-2-pyrrolidin-1-yl-ethyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-phenyl-2-pyrrolidin-1-ylethyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-phenyl-2-pyrrolidino-ethyl) ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c22-19(16-8-10-17(11-9-16)21(23)24)25-14-18(20-12-4-5-13-20)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-14H2