6-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O8S/c1-9-5-11(19(22)23)6-16(10(9)2)28(24,25)18-13-8-15-14(26-3-4-27-15)7-12(13)17(20)21/h5-8,18H,3-4H2,1-2H3,(H,20,21)