(5-chloranylquinolin-8-yl) 3-methyl-4-nitro-benzoate

Systemtic Name: (5-chloranylquinolin-8-yl) 3-methyl-4-nitro-benzoate Openeye Name: (5-chloro-8-quinolyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (5-chloro-8-quinolyl) ester Formula: C17H11ClN2O4 MolecularWeight: 342.73324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O4/c1-10-9-11(4-6-14(10)20(22)23)17(21)24-15-7-5-13(18)12-3-2-8-19-16(12)15/h2-9H,1H3