[1-[2-(4-dimethylaminophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate

Systemtic Name: [1-[2-(4-dimethylaminophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate Openeye Name: [1-[2-(4-dimethylaminophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[2-(4-dimethylaminophenyl)ethyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[2-(4-dimethylaminophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-[2-(4-dimethylaminophenyl)ethyl]pyrrolidin-3-yl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCN2CCC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCN2CCC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-22(2)18-7-3-16(4-8-18)11-13-23-14-12-20(15-23)28-21(25)17-5-9-19(10-6-17)24(26)27/h3-10,20H,11-15H2,1-2H3