[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3-nitrobenzoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3-nitrobenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3-nitrobenzoate Traditional Name: 3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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