[[6-bromanyl-5-nitro-2,3-bis(oxidanylidene)-7-(trifluoromethyl)quinolin-4-yl]amino] benzoate

Systemtic Name: [[6-bromanyl-5-nitro-2,3-bis(oxidanylidene)-7-(trifluoromethyl)quinolin-4-yl]amino] benzoate Openeye Name: [[6-bromo-5-nitro-2,3-dioxo-7-(trifluoromethyl)-4-quinolyl]amino] benzoate CAS Name: benzoic acid [[6-bromo-5-nitro-2,3-dioxo-7-(trifluoromethyl)-4-quinolinyl]amino] ester IUPAC Name: [[6-bromo-5-nitro-2,3-dioxo-7-(trifluoromethyl)quinolin-4-yl]amino] benzoate Traditional Name: benzoic acid [[6-bromo-2,3-diketo-5-nitro-7-(trifluoromethyl)-4-quinolyl]amino] ester Formula: C17H7BrF3N3O6 MolecularWeight: 486.15319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC2=C3C(=NC(=O)C2=O)C=C(C(=C3[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC2=C3C(=NC(=O)C2=O)C=C(C(=C3[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C17H7BrF3N3O6/c18-11-8(17(19,20)21)6-9-10(13(11)24(28)29)12(14(25)15(26)22-9)23-30-16(27)7-4-2-1-3-5-7/h1-6,23H