(5-chloranylquinolin-8-yl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (5-chloro-8-quinolyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (5-chloro-8-quinolyl) ester Formula: C17H10ClN3O6 MolecularWeight: 387.7308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClN3O6/c1-9-13(20(23)24)7-10(8-14(9)21(25)26)17(22)27-15-5-4-12(18)11-3-2-6-19-16(11)15/h2-8H,1H3