6-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(4-chloro-3-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(4-chloro-3-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C15H10ClN2O8S- MolecularWeight: 413.7665

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H11ClN2O8S/c16-10-2-1-8(5-12(10)18(21)22)27(23,24)17-11-7-14-13(25-3-4-26-14)6-9(11)15(19)20/h1-2,5-7,17H,3-4H2,(H,19,20)/p-1