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

Systemtic Name: (3-nitrophenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (3-nitrophenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (3-nitrophenyl) ester Formula: C14H10N2O7S MolecularWeight: 350.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O7S/c17-14-8-22-13-5-4-11(7-12(13)15-14)24(20,21)23-10-3-1-2-9(6-10)16(18)19/h1-7H,8H2,(H,15,17)