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

Systemtic Name: 6-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C16H13ClN2O8S MolecularWeight: 428.80102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)Cl

InChI

InChI=1S/C16H13ClN2O8S/c1-8-11(17)4-9(5-13(8)19(22)23)28(24,25)18-12-7-15-14(26-2-3-27-15)6-10(12)16(20)21/h4-7,18H,2-3H2,1H3,(H,20,21)