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

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-8-quinolyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-(1-pyrrolidinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-(pyrrolidinomethyl)-8-quinolyl] ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O6/c26-21(15-10-16(24(27)28)12-17(11-15)25(29)30)31-19-6-5-14(13-23-8-1-2-9-23)18-4-3-7-22-20(18)19/h3-7,10-12H,1-2,8-9,13H2