(2-nitrophenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (2-nitrophenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (2-nitrophenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (2-nitrophenyl) ester Formula: C14H9ClN2O7S MolecularWeight: 384.74846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)OC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)OC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN2O7S/c15-8-5-9-12(23-7-14(18)16-9)6-13(8)25(21,22)24-11-4-2-1-3-10(11)17(19)20/h1-6H,7H2,(H,16,18)