(1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-nitrobenzoate

Systemtic Name: (1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-nitrobenzoate Openeye Name: (1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (1-phenyl-2-pyrrolidin-1-ylethyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1-phenyl-2-pyrrolidino-ethyl) ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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