quinolin-8-yl 2,4-dinitrobenzoate

Systemtic Name: quinolin-8-yl 2,4-dinitrobenzoate Openeye Name: 8-quinolyl 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid 8-quinolyl ester Formula: C16H9N3O6 MolecularWeight: 339.25916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H9N3O6/c20-16(12-7-6-11(18(21)22)9-13(12)19(23)24)25-14-5-1-3-10-4-2-8-17-15(10)14/h1-9H