[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-nitrobenzoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-nitrobenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c25-21(15-5-8-17(9-6-15)24(26)27)28-19-10-7-16(14-23-12-1-2-13-23)18-4-3-11-22-20(18)19/h3-11H,1-2,12-14H2