[5-chloranyl-7-(morpholin-4-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate

Systemtic Name: [5-chloranyl-7-(morpholin-4-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate Openeye Name: [5-chloro-7-(morpholinomethyl)-8-quinolyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-chloro-7-(4-morpholinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-chloro-7-(morpholinomethyl)-8-quinolyl] ester Formula: C21H17ClN4O7 MolecularWeight: 472.83528

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O7/c22-18-10-14(12-24-4-6-32-7-5-24)20(19-17(18)2-1-3-23-19)33-21(27)13-8-15(25(28)29)11-16(9-13)26(30)31/h1-3,8-11H,4-7,12H2