(2-methylquinolin-8-yl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (2-methylquinolin-8-yl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (2-methyl-8-quinolyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (2-methyl-8-quinolyl) ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C=C1

InChI

InChI=1S/C18H13ClN2O5S/c1-10-5-6-11-3-2-4-14(18(11)20-10)26-27(23,24)16-8-15-13(7-12(16)19)21-17(22)9-25-15/h2-8H,9H2,1H3,(H,21,22)