[5-(morpholin-4-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate

Systemtic Name: [5-(morpholin-4-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate Openeye Name: [5-(morpholinomethyl)-8-quinolyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-(4-morpholinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(morpholin-4-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-(morpholinomethyl)-8-quinolyl] ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c26-21(15-10-16(24(27)28)12-17(11-15)25(29)30)32-19-4-3-14(13-23-6-8-31-9-7-23)18-2-1-5-22-20(18)19/h1-5,10-12H,6-9,13H2