(2-methylquinolin-8-yl) 3,5-dinitrobenzoate

Systemtic Name: (2-methylquinolin-8-yl) 3,5-dinitrobenzoate Openeye Name: (2-methyl-8-quinolyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-methyl-8-quinolyl) ester Formula: C17H11N3O6 MolecularWeight: 353.28574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H11N3O6/c1-10-5-6-11-3-2-4-15(16(11)18-10)26-17(21)12-7-13(19(22)23)9-14(8-12)20(24)25/h2-9H,1H3