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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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