quinolin-8-yl 2,5-dinitrobenzoate

Systemtic Name: quinolin-8-yl 2,5-dinitrobenzoate Openeye Name: 8-quinolyl 2,5-dinitrobenzoate CAS Name: 2,5-dinitrobenzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2,5-dinitrobenzoate Traditional Name: 2,5-dinitrobenzoic acid 8-quinolyl ester Formula: C16H9N3O6 MolecularWeight: 339.25916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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