2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C17H17ClN2O9S MolecularWeight: 460.84288

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C17H17ClN2O9S/c1-27-5-6-29-16-9-13(11(17(21)22)8-15(16)28-2)19-30(25,26)10-3-4-12(18)14(7-10)20(23)24/h3-4,7-9,19H,5-6H2,1-2H3,(H,21,22)